(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol

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  • Identifiers

    CAS number
    333332-50-6

    Molecular formula
    C38H62O9

    SMILES
    C[C@H](C/C=C/C(C)(C)OC)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@]5([C@H]3CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]4OC)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 67.01%
    Amber 40.96%
    Sandalwood 37.88%
    Spicy 34.15%
    Dry 32.15%
    Cedar 29.32%
    Balsamic 26.87%
    Musk 26.35%
    Odorless 25.05%
    Powdery 24.83%

     

    Flavor
    Bitter 41.8%
    Green 31.9%
    Herbal 28.15%
    Woody 24.97%
    Earthy 24.65%
    Cedarleaf 22.59%
    Pine 22.32%
    Sandalwood 21.13%
    Earth 21.0%
    Clary 20.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    4.83 (weak acid)

    Molecular weight
    662.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    111°C

    Flash point

    • 231.01 ˚C est.

  • Synonyms

    • Goyaglycoside D
    • 333332-50-6
    • orb1680495
    • AKOS040763296
    • 333332-50-6

  • Applications

    Chemical name: (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol; CAS number: 333332-50-6. The compound represents a highly oxygenated glycoside-like polycyclic framework that may be used as a pharmaceutical intermediate and chiral building block in medicinal chemistry. It can serve as a scaffold for natural product–like synthesis, enabling diversification of complex molecules. In cosmetics/personal care, it could function as a sugar-derived functional ingredient or carrier component. In fragrance applications, it may be evaluated as a fragrance precursor or odor-active fragment. In materials and coatings, its polyether/terpenoid architecture could be explored as a specialty polymer modifier or crosslinkable reagent for coatings and adhesives, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.93
    methanol 30.89
    isopropanol 5.22
    water 0.12
    ethyl acetate 15.22
    n-propanol 11.1
    acetone 26.32
    n-butanol 6.47
    acetonitrile 7.01
    DMF 78.36
    toluene 6.5
    isobutanol 5.58
    1,4-dioxane 41.59
    methyl acetate 14.77
    THF 99.89
    2-butanone 19.16
    n-pentanol 6.59
    sec-butanol 3.62
    n-hexane 0.29
    ethylene glycol 5.29
    NMP 100.1
    cyclohexane 0.5
    DMSO 83.93
    n-butyl acetate 7.53
    n-octanol 5.44
    chloroform 37.92
    n-propyl acetate 8.31
    acetic acid 66.17
    dichloromethane 31.04
    cyclohexanone 34.13
    propylene glycol 6.12
    isopropyl acetate 10.16
    DMAc 91.58
    2-ethoxyethanol 35.23
    isopentanol 4.33
    n-heptane 0.37
    ethyl formate 12.25
    1,2-dichloroethane 14.9
    n-hexanol 5.6
    2-methoxyethanol 53.3
    isobutyl acetate 6.11
    tetrachloromethane 5.44
    n-pentyl acetate 12.7
    transcutol 46.84
    n-heptanol 7.38
    ethylbenzene 2.91
    MIBK 9.49
    2-propoxyethanol 41.75
    tert-butanol 4.54
    MTBE 5.26
    2-butoxyethanol 30.34
    propionic acid 17.22
    o-xylene 4.11
    formic acid 29.05
    diethyl ether 8.3
    m-xylene 4.52
    p-xylene 3.37
    chlorobenzene 9.39
    dimethyl carbonate 23.5
    n-octane 0.2
    formamide 30.23
    cyclopentanone 63.58
    2-pentanone 15.84
    anisole 10.34
    cyclopentyl methyl ether 21.87
    gamma-butyrolactone 72.38
    1-methoxy-2-propanol 35.72
    pyridine 30.63
    3-pentanone 13.83
    furfural 51.71
    n-dodecane 0.15
    diethylene glycol 29.14
    diisopropyl ether 1.99
    tert-amyl alcohol 3.85
    acetylacetone 30.27
    n-hexadecane 0.18
    acetophenone 14.86
    methyl propionate 20.43
    isopentyl acetate 7.4
    trichloroethylene 43.99
    n-nonanol 5.98
    cyclohexanol 5.51
    benzyl alcohol 12.56
    2-ethylhexanol 3.02
    isooctanol 5.45
    dipropyl ether 5.44
    1,2-dichlorobenzene 9.56
    ethyl lactate 9.83
    propylene carbonate 25.73
    n-methylformamide 36.83
    2-pentanol 2.83
    n-pentane 0.29
    1-propoxy-2-propanol 19.52
    1-methoxy-2-propyl acetate 19.92
    2-(2-methoxypropoxy) propanol 18.81
    mesitylene 2.3
    ε-caprolactone 33.91
    p-cymene 2.04
    epichlorohydrin 67.46
    1,1,1-trichloroethane 11.95
    2-aminoethanol 12.98
    morpholine-4-carbaldehyde 96.99
    sulfolane 99.17
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 24.08
    n-hexyl acetate 13.49
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 27.05
    sec-butyl acetate 5.61
    tert-butyl acetate 11.48
    decalin 0.41
    glycerin 17.39
    diglyme 49.55
    acrylic acid 24.97
    isopropyl myristate 3.63
    n-butyric acid 23.4
    acetyl acetate 17.69
    di(2-ethylhexyl) phthalate 7.21
    ethyl propionate 8.55
    nitromethane 70.65
    1,2-diethoxyethane 11.47
    benzonitrile 8.35
    trioctyl phosphate 5.32
    1-bromopropane 5.05
    gamma-valerolactone 121.39
    n-decanol 3.3
    triethyl phosphate 5.59
    4-methyl-2-pentanol 2.39
    propionitrile 6.23
    vinylene carbonate 31.11
    1,1,2-trichlorotrifluoroethane 67.7
    DMS 13.68
    cumene 2.01
    2-octanol 3.36
    2-hexanone 9.08
    octyl acetate 6.25
    limonene 2.64
    1,2-dimethoxyethane 38.05
    ethyl orthosilicate 5.3
    tributyl phosphate 4.21
    diacetone alcohol 18.37
    N,N-dimethylaniline 8.05
    acrylonitrile 12.07
    aniline 9.8
    1,3-propanediol 18.28
    bromobenzene 9.12
    dibromomethane 16.0
    1,1,2,2-tetrachloroethane 29.78
    2-methyl-cyclohexyl acetate 8.51
    tetrabutyl urea 6.69
    diisobutyl methanol 1.65
    2-phenylethanol 12.13
    styrene 3.38
    dioctyl adipate 8.22
    dimethyl sulfate 40.35
    ethyl butyrate 7.04
    methyl lactate 22.53
    butyl lactate 13.55
    diethyl carbonate 4.81
    propanediol butyl ether 21.96
    triethyl orthoformate 7.4
    p-tert-butyltoluene 2.09
    methyl 4-tert-butylbenzoate 19.76
    morpholine 47.98
    tert-butylamine 1.63
    n-dodecanol 1.86
    dimethoxymethane 63.52
    ethylene carbonate 23.2
    cyrene 34.2
    2-ethoxyethyl acetate 25.38
    2-ethylhexyl acetate 5.81
    1,2,4-trichlorobenzene 14.04
    4-methylpyridine 19.55
    dibutyl ether 3.17
    2,6-dimethyl-4-heptanol 1.65
    DEF 24.14
    dimethyl isosorbide 33.5
    tetrachloroethylene 23.63
    eugenol 19.35
    triacetin 21.84
    span 80 18.47
    1,4-butanediol 8.29
    1,1-dichloroethane 10.24
    2-methyl-1-pentanol 4.4
    methyl formate 28.13
    2-methyl-1-butanol 4.36
    n-decane 0.35
    butyronitrile 4.97
    3,7-dimethyl-1-octanol 3.56
    1-chlorooctane 1.93
    1-chlorotetradecane 0.57
    n-nonane 0.28
    undecane 0.22
    tert-butylcyclohexane 0.3
    cyclooctane 0.29
    cyclopentanol 10.64
    tetrahydropyran 19.66
    tert-amyl methyl ether 4.8
    2,5,8-trioxanonane 29.75
    1-hexene 1.06
    2-isopropoxyethanol 19.14
    2,2,2-trifluoroethanol 26.92
    methyl butyrate 10.63

    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