(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-methoxycarbonyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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  • Identifiers

    CAS number
    155740-15-1

    Molecular formula
    C43H68O14

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 49.9%
    Odorless 43.45%
    Spicy 35.35%
    Amber 33.63%
    Balsamic 31.35%
    Dry 31.15%
    Cedar 27.17%
    Cooling 25.79%
    Musk 24.32%
    Warm 23.93%

     

    Flavor
    Bitter 59.55%
    Odorless 25.98%
    Sweet-like 24.72%
    Pine 23.98%
    Bland 23.31%
    Woody 22.85%
    Fatty 22.84%
    Cedarleaf 22.7%
    Sweet 22.68%
    Patchouli 21.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    2.99 (strong acid)

    Molecular weight
    809.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    507°C

    Flash point

    • 252.9 ˚C est.

  • Synonyms

    • CHEMBL501609
    • SCHEMBL31238259
    • DTXSID101108115
    • 155740-15-1
    • I(2)-D-Glucopyranosiduronic acid, (3I(2))-17-carboxy-28-norolean-12-en-3-yl 3-O-I(2)-D-galactopyranosyl-, 6-methyl ester
    • 155740-15-1

  • Applications

    Chemical name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-methoxycarbonyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; CAS number: 155740-15-1. This highly glycosylated polycyclic terpenoid carboxylic acid is typically used as an advanced intermediate and reference standard in natural product and medicinal chemistry, serving as a chiral scaffold for structure–activity relationship (SAR) studies and as a starting point for semi-synthetic modification; in pharmaceutical research it is commonly evaluated as a lead-building precursor and for derivatization to access glycoside analogs, and it can function as a reference material for analytical methods in natural product isolation and characterization; researchers may also explore its utility as a scaffold for new drug discovery and, in cosmetics or fragrance research, as a glycosylated terpenoid candidate under appropriate formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.65
    methanol 17.59
    isopropanol 0.48
    water 0.04
    ethyl acetate 1.24
    n-propanol 0.88
    acetone 3.25
    n-butanol 0.35
    acetonitrile 0.96
    DMF 42.02
    toluene 0.44
    isobutanol 0.33
    1,4-dioxane 7.79
    methyl acetate 1.76
    THF 14.73
    2-butanone 1.76
    n-pentanol 0.36
    sec-butanol 0.28
    n-hexane 0.02
    ethylene glycol 3.37
    NMP 35.27
    cyclohexane 0.03
    DMSO 31.83
    n-butyl acetate 0.53
    n-octanol 0.4
    chloroform 2.7
    n-propyl acetate 0.68
    acetic acid 18.81
    dichloromethane 2.48
    cyclohexanone 2.39
    propylene glycol 3.08
    isopropyl acetate 0.74
    DMAc 28.39
    2-ethoxyethanol 6.34
    isopentanol 0.21
    n-heptane 0.02
    ethyl formate 1.42
    1,2-dichloroethane 1.13
    n-hexanol 0.28
    2-methoxyethanol 15.94
    isobutyl acetate 0.38
    tetrachloromethane 0.28
    n-pentyl acetate 1.05
    transcutol 12.19
    n-heptanol 0.48
    ethylbenzene 0.17
    MIBK 0.64
    2-propoxyethanol 6.64
    tert-butanol 0.36
    MTBE 0.34
    2-butoxyethanol 4.05
    propionic acid 2.07
    o-xylene 0.3
    formic acid 24.21
    diethyl ether 0.56
    m-xylene 0.3
    p-xylene 0.22
    chlorobenzene 0.49
    dimethyl carbonate 4.72
    n-octane 0.01
    formamide 18.12
    cyclopentanone 7.56
    2-pentanone 1.1
    anisole 1.06
    cyclopentyl methyl ether 1.75
    gamma-butyrolactone 11.75
    1-methoxy-2-propanol 7.41
    pyridine 4.14
    3-pentanone 1.08
    furfural 12.81
    n-dodecane 0.01
    diethylene glycol 10.33
    diisopropyl ether 0.11
    tert-amyl alcohol 0.27
    acetylacetone 4.97
    n-hexadecane 0.01
    acetophenone 1.62
    methyl propionate 2.39
    isopentyl acetate 0.44
    trichloroethylene 4.47
    n-nonanol 0.42
    cyclohexanol 0.3
    benzyl alcohol 1.36
    2-ethylhexanol 0.13
    isooctanol 0.32
    dipropyl ether 0.42
    1,2-dichlorobenzene 0.56
    ethyl lactate 1.5
    propylene carbonate 3.23
    n-methylformamide 15.33
    2-pentanol 0.16
    n-pentane 0.02
    1-propoxy-2-propanol 2.99
    1-methoxy-2-propyl acetate 2.86
    2-(2-methoxypropoxy) propanol 3.27
    mesitylene 0.16
    ε-caprolactone 2.66
    p-cymene 0.12
    epichlorohydrin 10.06
    1,1,1-trichloroethane 0.64
    2-aminoethanol 3.81
    morpholine-4-carbaldehyde 35.15
    sulfolane 26.18
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.86
    n-hexyl acetate 1.07
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.96
    sec-butyl acetate 0.35
    tert-butyl acetate 0.94
    decalin 0.02
    glycerin 11.09
    diglyme 10.5
    acrylic acid 5.49
    isopropyl myristate 0.25
    n-butyric acid 1.44
    acetyl acetate 1.87
    di(2-ethylhexyl) phthalate 0.65
    ethyl propionate 0.68
    nitromethane 28.81
    1,2-diethoxyethane 1.59
    benzonitrile 0.81
    trioctyl phosphate 0.37
    1-bromopropane 0.23
    gamma-valerolactone 24.44
    n-decanol 0.23
    triethyl phosphate 0.42
    4-methyl-2-pentanol 0.12
    propionitrile 0.54
    vinylene carbonate 4.2
    1,1,2-trichlorotrifluoroethane 20.97
    DMS 1.91
    cumene 0.11
    2-octanol 0.23
    2-hexanone 0.67
    octyl acetate 0.48
    limonene 0.14
    1,2-dimethoxyethane 7.56
    ethyl orthosilicate 0.38
    tributyl phosphate 0.3
    diacetone alcohol 2.55
    N,N-dimethylaniline 0.93
    acrylonitrile 1.68
    aniline 0.82
    1,3-propanediol 2.64
    bromobenzene 0.45
    dibromomethane 0.87
    1,1,2,2-tetrachloroethane 2.98
    2-methyl-cyclohexyl acetate 0.56
    tetrabutyl urea 0.66
    diisobutyl methanol 0.1
    2-phenylethanol 1.12
    styrene 0.21
    dioctyl adipate 0.69
    dimethyl sulfate 11.7
    ethyl butyrate 0.52
    methyl lactate 5.53
    butyl lactate 1.57
    diethyl carbonate 0.38
    propanediol butyl ether 5.1
    triethyl orthoformate 0.67
    p-tert-butyltoluene 0.14
    methyl 4-tert-butylbenzoate 2.65
    morpholine 7.83
    tert-butylamine 0.1
    n-dodecanol 0.12
    dimethoxymethane 18.55
    ethylene carbonate 2.21
    cyrene 8.52
    2-ethoxyethyl acetate 3.25
    2-ethylhexyl acetate 0.32
    1,2,4-trichlorobenzene 1.0
    4-methylpyridine 1.96
    dibutyl ether 0.23
    2,6-dimethyl-4-heptanol 0.1
    DEF 2.73
    dimethyl isosorbide 7.06
    tetrachloroethylene 2.3
    eugenol 2.85
    triacetin 3.19
    span 80 3.08
    1,4-butanediol 1.25
    1,1-dichloroethane 0.59
    2-methyl-1-pentanol 0.2
    methyl formate 13.99
    2-methyl-1-butanol 0.21
    n-decane 0.02
    butyronitrile 0.31
    3,7-dimethyl-1-octanol 0.21
    1-chlorooctane 0.12
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.76
    tetrahydropyran 1.43
    tert-amyl methyl ether 0.32
    2,5,8-trioxanonane 6.39
    1-hexene 0.06
    2-isopropoxyethanol 2.49
    2,2,2-trifluoroethanol 6.04
    methyl butyrate 0.87

    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