Notoginsenoside R1

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  • Identifiers

    CAS number
    80418-24-2

    Molecular formula
    C47H80O18

    SMILES
    CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 50.79%
    Woody 42.09%
    Sweet 38.32%
    Spicy 30.58%
    Mint 28.89%
    Cooling 28.17%
    Balsamic 26.24%
    Amber 24.48%
    Dry 22.83%
    Warm 22.71%

     

    Flavor
    Bitter 49.4%
    Sweet 35.16%
    Odorless 30.53%
    Fatty 30.08%
    Sweet-like 26.47%
    Cedarleaf 21.88%
    Bland 21.62%
    Mentholic 21.49%
    Patchouli 20.88%
    Metallic 20.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    3.79 (weak acid)

    Molecular weight
    933.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2911°C

    Flash point

    • 212.02 ˚C est.

    Solubility expt.

    • In water, 1 mg/mL, clear colorless solution

  • Synonyms

    • Notoginsenoside R1
    • 80418-24-2
    • Sanchinoside R1
    • Z62692362Z
    • CHEBI:77149
    • DTXSID101036451
    • beta-D-Glucopyranoside, (3beta,6alpha,12beta)-20-(beta-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-beta-D-xylopyranosyl-
    • Notoginsenoside R 1
    • RefChem:43944
    • DTXCID101520638
    • (2S,3R,4S,5S,6R)-2-((1S)-1-((3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl)oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)-1,5-dimethyl-hex-4-enoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
    • (2S,3R,4S,5S,6R)-2-((2S)-2-((3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-methylhept-5-en-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • MFCD00210535
    • NotoginsenosideR1
    • b-D-Glucopyranoside,(3b,6a,12b)-20-(b-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-b-D-xylopyranosyl-
    • C47H80O18
    • notoginsenoside-R1
    • (3|A,6|A,12|A)-20-(|A-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-|A-D-xylopyranosyl-|A-D-glucopyranoside
    • O-Acetylseudolaric acid C
    • CHEMBL507115
    • Notoginsenoside
    • Sanchinoside R1;Sanqi glucoside R1
    • UNII-Z62692362Z
    • ss-D-Glucopyranoside, (3ss,6a,12ss)-20-(ss-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-ss-D-xylopyranosyl-; Dammarane, ss-D-glucopyranoside deriv.; (3ss,6a,12ss)-20-(ss-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-ss-D-xylopyranosyl-ss-D-glucopyranoside; Notoginsenoside R1; Sanchinoside R1; Sanqi glucoside R1
    • Sanqi glucoside R1
    • (20S)-ginsenoside R1
    • Notoginsenoside R1 (Standard)
    • orb1304798
    • SCHEMBL28130814
    • HSDB 8111
    • HY-N0615R
    • (3beta,6alpha,12beta)-20-(beta-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
    • HY-N0615
    • MSK40040
    • s3785
    • AKOS025311471
    • CCG-270581
    • CS-4167
    • EBC-221096
    • Notoginsenoside R1, >=98% (HPLC)
    • Notoginsenoside R1, analytical standard
    • ON10463
    • AC-34698
    • BS-17596
    • SY068884
    • C08961
    • 418N242
    • Q27105065
    • (3b,6a,12b)-20-(b-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-b-D-xylopyranosyl-b-D-glucopyranoside
    • .BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,6.ALPHA.,12.BETA.)-20-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,12-DIHYDROXYDAMMAR-24-EN-6-YL 2-O-.BETA.-D-XYLOPYRANOSYL-
    • NOTOGINSENOSIDE R1 (CONSTITUENT OF AMERICAN GINSENG, ASIAN GINSENG, AND TIENCHI GINSENG) [DSC]
    • 80418-24-2

  • Applications

    Notoginsenoside R1 (CAS 80418-24-2) is a dammarane-type saponin isolated from Panax notoginseng. In practice, it is mainly used in pharmaceutical and pharmacognosy research as a bioactive lead compound with properties studied for anti-inflammatory, antioxidant, and potential neuroprotective effects. It is also evaluated for cosmetic/personal care applications as a potential active ingredient in skin care products. In analytical chemistry, Notoginsenoside R1 can be used as a reference standard or quality-control material for detecting, quantifying, and profiling ginsenosides in samples. In industrial contexts, it may be considered a subject of synthetic studies or used to support the development of derivatives of ginsenosides.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.58
    methanol 26.04
    isopropanol 0.75
    water 0.15
    ethyl acetate 2.7
    n-propanol 1.61
    acetone 5.34
    n-butanol 0.67
    acetonitrile 1.81
    DMF 47.05
    toluene 0.66
    isobutanol 0.6
    1,4-dioxane 10.3
    methyl acetate 3.28
    THF 18.99
    2-butanone 3.11
    n-pentanol 0.6
    sec-butanol 0.52
    n-hexane 0.03
    ethylene glycol 5.44
    NMP 51.43
    cyclohexane 0.05
    DMSO 58.7
    n-butyl acetate 1.16
    n-octanol 0.9
    chloroform 5.56
    n-propyl acetate 1.25
    acetic acid 35.18
    dichloromethane 5.27
    cyclohexanone 4.67
    propylene glycol 4.08
    isopropyl acetate 1.52
    DMAc 40.2
    2-ethoxyethanol 10.05
    isopentanol 0.41
    n-heptane 0.05
    ethyl formate 3.15
    1,2-dichloroethane 2.25
    n-hexanol 0.6
    2-methoxyethanol 23.34
    isobutyl acetate 0.68
    tetrachloromethane 0.64
    n-pentyl acetate 2.24
    transcutol 16.88
    n-heptanol 1.11
    ethylbenzene 0.28
    MIBK 1.14
    2-propoxyethanol 10.66
    tert-butanol 0.58
    MTBE 0.58
    2-butoxyethanol 7.87
    propionic acid 4.36
    o-xylene 0.45
    formic acid 44.2
    diethyl ether 1.04
    m-xylene 0.48
    p-xylene 0.33
    chlorobenzene 0.91
    dimethyl carbonate 7.49
    n-octane 0.03
    formamide 29.59
    cyclopentanone 11.36
    2-pentanone 2.12
    anisole 1.59
    cyclopentyl methyl ether 2.98
    gamma-butyrolactone 17.97
    1-methoxy-2-propanol 10.26
    pyridine 6.41
    3-pentanone 1.95
    furfural 21.72
    n-dodecane 0.02
    diethylene glycol 14.06
    diisopropyl ether 0.21
    tert-amyl alcohol 0.51
    acetylacetone 7.81
    n-hexadecane 0.03
    acetophenone 2.55
    methyl propionate 4.24
    isopentyl acetate 1.02
    trichloroethylene 8.1
    n-nonanol 0.94
    cyclohexanol 0.59
    benzyl alcohol 2.05
    2-ethylhexanol 0.34
    isooctanol 0.7
    dipropyl ether 0.84
    1,2-dichlorobenzene 1.07
    ethyl lactate 2.55
    propylene carbonate 6.6
    n-methylformamide 21.17
    2-pentanol 0.31
    n-pentane 0.03
    1-propoxy-2-propanol 4.65
    1-methoxy-2-propyl acetate 5.07
    2-(2-methoxypropoxy) propanol 5.45
    mesitylene 0.25
    ε-caprolactone 5.75
    p-cymene 0.27
    epichlorohydrin 15.39
    1,1,1-trichloroethane 1.25
    2-aminoethanol 6.63
    morpholine-4-carbaldehyde 49.38
    sulfolane 44.54
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.09
    n-hexyl acetate 2.25
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.82
    sec-butyl acetate 0.71
    tert-butyl acetate 1.61
    decalin 0.03
    glycerin 15.26
    diglyme 16.87
    acrylic acid 10.02
    isopropyl myristate 0.5
    n-butyric acid 3.58
    acetyl acetate 4.12
    di(2-ethylhexyl) phthalate 1.26
    ethyl propionate 1.32
    nitromethane 47.02
    1,2-diethoxyethane 2.66
    benzonitrile 1.44
    trioctyl phosphate 0.79
    1-bromopropane 0.51
    gamma-valerolactone 40.32
    n-decanol 0.51
    triethyl phosphate 0.98
    4-methyl-2-pentanol 0.23
    propionitrile 1.03
    vinylene carbonate 8.65
    1,1,2-trichlorotrifluoroethane 32.84
    DMS 3.35
    cumene 0.2
    2-octanol 0.5
    2-hexanone 1.18
    octyl acetate 1.03
    limonene 0.34
    1,2-dimethoxyethane 10.64
    ethyl orthosilicate 0.86
    tributyl phosphate 0.66
    diacetone alcohol 3.89
    N,N-dimethylaniline 1.36
    acrylonitrile 2.95
    aniline 1.28
    1,3-propanediol 4.95
    bromobenzene 0.79
    dibromomethane 1.94
    1,1,2,2-tetrachloroethane 4.96
    2-methyl-cyclohexyl acetate 1.18
    tetrabutyl urea 1.25
    diisobutyl methanol 0.2
    2-phenylethanol 2.0
    styrene 0.35
    dioctyl adipate 1.36
    dimethyl sulfate 18.39
    ethyl butyrate 1.15
    methyl lactate 8.96
    butyl lactate 3.09
    diethyl carbonate 0.81
    propanediol butyl ether 7.52
    triethyl orthoformate 1.33
    p-tert-butyltoluene 0.28
    methyl 4-tert-butylbenzoate 4.58
    morpholine 10.82
    tert-butylamine 0.17
    n-dodecanol 0.28
    dimethoxymethane 22.33
    ethylene carbonate 4.92
    cyrene 11.97
    2-ethoxyethyl acetate 6.34
    2-ethylhexyl acetate 0.77
    1,2,4-trichlorobenzene 1.79
    4-methylpyridine 2.92
    dibutyl ether 0.45
    2,6-dimethyl-4-heptanol 0.2
    DEF 5.35
    dimethyl isosorbide 10.8
    tetrachloroethylene 4.24
    eugenol 4.93
    triacetin 6.26
    span 80 5.03
    1,4-butanediol 2.05
    1,1-dichloroethane 1.14
    2-methyl-1-pentanol 0.39
    methyl formate 19.16
    2-methyl-1-butanol 0.44
    n-decane 0.05
    butyronitrile 0.67
    3,7-dimethyl-1-octanol 0.46
    1-chlorooctane 0.27
    1-chlorotetradecane 0.07
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.28
    tetrahydropyran 2.4
    tert-amyl methyl ether 0.6
    2,5,8-trioxanonane 10.4
    1-hexene 0.1
    2-isopropoxyethanol 3.86
    2,2,2-trifluoroethanol 13.85
    methyl butyrate 1.69

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction