Ganolucidic Acid B

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  • Identifiers

    CAS number
    98683-75-1

    Molecular formula
    C30H46O6

    SMILES
    C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 69.09%
    Amber 38.45%
    Cedar 36.59%
    Dry 35.96%
    Odorless 35.16%
    Balsamic 27.78%
    Cooling 27.31%
    Spicy 27.06%
    Musk 27.03%
    Mint 25.93%

     

    Flavor
    Bitter 77.81%
    Odorless 26.41%
    Bland 23.26%
    Cedarleaf 22.53%
    Sweet-like 21.19%
    Ripe apricot 20.36%
    Heather 20.17%
    Red fruit 20.12%
    Parsley 20.0%
    Broom 19.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    5.06 (weak acid)

    Molecular weight
    502.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    194°C

    Flash point

    • 286.82 ˚C est.

  • Synonyms

    • Ganolucidic acid B
    • 3-Hydroxyganolucidic acid A
    • ER45571898
    • 98683-75-1
    • (3beta,15alpha)-3,15-Dihydroxy-11,23-dioxolanost-8-en-26-oic acid
    • Lanost-8-en-26-oic acid, 3,15-dihydroxy-11,23-dioxo-, (3beta,15alpha)-
    • DTXSID101316132
    • (6R)-6-((3S,5R,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta(a)phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid
    • (6R)-6-[(3S,5R,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
    • RefChem:1085729
    • DTXCID501745997
    • CHEMBL1922176
    • UNII-ER45571898
    • Ganolucidenic acid B
    • SCHEMBL3866305
    • CHEBI:167979
    • BDBM50359042
    • HY-N15216
    • H50775
    • Q27896785
    • (3.BETA.,15.ALPHA.)-3,15-DIHYDROXY-11,23-DIOXOLANOST-8-EN-26-OIC ACID
    • LANOST-8-EN-26-OIC ACID, 3,15-DIHYDROXY-11,23-DIOXO-, (3.BETA.,15.ALPHA.)-
    • 98683-75-1

  • Applications

    Ganolucidic Acid B is a natural triterpenoid that is typically used as an intermediate and building block for synthesizing related derivatives; it is evaluated in pharmaceutical research as a lead scaffold in natural product drug discovery; in cosmetics and personal care it is investigated as a bioactive ingredient for formulation studies; and in academic and industrial natural product chemistry it serves as a research reagent for structure-activity investigations and method development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 52.24
    methanol 77.42
    isopropanol 20.9
    water 0.04
    ethyl acetate 4.42
    n-propanol 33.23
    acetone 19.09
    n-butanol 12.91
    acetonitrile 4.28
    DMF 184.35
    toluene 1.96
    isobutanol 10.79
    1,4-dioxane 44.2
    methyl acetate 6.3
    THF 132.96
    2-butanone 12.45
    n-pentanol 8.29
    sec-butanol 6.19
    n-hexane 0.13
    ethylene glycol 9.9
    NMP 70.59
    cyclohexane 0.12
    DMSO 89.74
    n-butyl acetate 3.54
    n-octanol 2.06
    chloroform 14.0
    n-propyl acetate 3.4
    acetic acid 28.46
    dichloromethane 9.51
    cyclohexanone 17.99
    propylene glycol 16.7
    isopropyl acetate 3.28
    DMAc 71.18
    2-ethoxyethanol 42.49
    isopentanol 5.34
    n-heptane 0.07
    ethyl formate 5.76
    1,2-dichloroethane 5.56
    n-hexanol 6.72
    2-methoxyethanol 101.61
    isobutyl acetate 2.33
    tetrachloromethane 1.49
    n-pentyl acetate 4.78
    transcutol 30.05
    n-heptanol 4.15
    ethylbenzene 0.99
    MIBK 4.11
    2-propoxyethanol 58.87
    tert-butanol 7.7
    MTBE 2.84
    2-butoxyethanol 24.29
    propionic acid 10.09
    o-xylene 0.97
    formic acid 21.66
    diethyl ether 5.73
    m-xylene 1.12
    p-xylene 1.19
    chlorobenzene 2.5
    dimethyl carbonate 7.86
    n-octane 0.04
    formamide 26.82
    cyclopentanone 42.94
    2-pentanone 7.8
    anisole 4.17
    cyclopentyl methyl ether 10.34
    gamma-butyrolactone 40.08
    1-methoxy-2-propanol 60.8
    pyridine 22.71
    3-pentanone 5.03
    furfural 26.24
    n-dodecane 0.02
    diethylene glycol 45.99
    diisopropyl ether 0.68
    tert-amyl alcohol 3.73
    acetylacetone 10.2
    n-hexadecane 0.03
    acetophenone 4.76
    methyl propionate 8.1
    isopentyl acetate 3.27
    trichloroethylene 13.32
    n-nonanol 2.19
    cyclohexanol 3.81
    benzyl alcohol 8.34
    2-ethylhexanol 1.61
    isooctanol 2.53
    dipropyl ether 2.41
    1,2-dichlorobenzene 2.04
    ethyl lactate 4.62
    propylene carbonate 9.42
    n-methylformamide 57.99
    2-pentanol 3.21
    n-pentane 0.12
    1-propoxy-2-propanol 22.14
    1-methoxy-2-propyl acetate 10.61
    2-(2-methoxypropoxy) propanol 10.16
    mesitylene 0.52
    ε-caprolactone 14.47
    p-cymene 0.49
    epichlorohydrin 48.72
    1,1,1-trichloroethane 3.01
    2-aminoethanol 36.51
    morpholine-4-carbaldehyde 95.3
    sulfolane 48.62
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 17.76
    n-hexyl acetate 4.84
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 16.87
    sec-butyl acetate 1.82
    tert-butyl acetate 3.42
    decalin 0.08
    glycerin 27.64
    diglyme 30.78
    acrylic acid 11.85
    isopropyl myristate 0.92
    n-butyric acid 11.2
    acetyl acetate 3.29
    di(2-ethylhexyl) phthalate 2.84
    ethyl propionate 2.71
    nitromethane 32.28
    1,2-diethoxyethane 5.77
    benzonitrile 4.24
    trioctyl phosphate 1.73
    1-bromopropane 2.18
    gamma-valerolactone 89.4
    n-decanol 1.01
    triethyl phosphate 1.57
    4-methyl-2-pentanol 1.68
    propionitrile 4.73
    vinylene carbonate 10.96
    1,1,2-trichlorotrifluoroethane 33.25
    DMS 5.01
    cumene 0.62
    2-octanol 1.56
    2-hexanone 5.21
    octyl acetate 1.78
    limonene 0.62
    1,2-dimethoxyethane 40.5
    ethyl orthosilicate 1.53
    tributyl phosphate 1.41
    diacetone alcohol 9.44
    N,N-dimethylaniline 3.0
    acrylonitrile 8.04
    aniline 5.43
    1,3-propanediol 44.44
    bromobenzene 1.8
    dibromomethane 4.93
    1,1,2,2-tetrachloroethane 10.67
    2-methyl-cyclohexyl acetate 2.88
    tetrabutyl urea 2.52
    diisobutyl methanol 0.73
    2-phenylethanol 8.35
    styrene 1.1
    dioctyl adipate 2.38
    dimethyl sulfate 15.0
    ethyl butyrate 2.22
    methyl lactate 12.35
    butyl lactate 7.19
    diethyl carbonate 1.41
    propanediol butyl ether 18.21
    triethyl orthoformate 2.49
    p-tert-butyltoluene 0.48
    methyl 4-tert-butylbenzoate 6.83
    morpholine 76.49
    tert-butylamine 1.86
    n-dodecanol 0.49
    dimethoxymethane 78.03
    ethylene carbonate 7.78
    cyrene 17.72
    2-ethoxyethyl acetate 10.51
    2-ethylhexyl acetate 2.25
    1,2,4-trichlorobenzene 3.42
    4-methylpyridine 12.75
    dibutyl ether 0.98
    2,6-dimethyl-4-heptanol 0.73
    DEF 11.39
    dimethyl isosorbide 17.4
    tetrachloroethylene 7.66
    eugenol 9.48
    triacetin 6.07
    span 80 9.67
    1,4-butanediol 14.42
    1,1-dichloroethane 4.01
    2-methyl-1-pentanol 3.76
    methyl formate 27.63
    2-methyl-1-butanol 5.36
    n-decane 0.06
    butyronitrile 4.23
    3,7-dimethyl-1-octanol 1.28
    1-chlorooctane 0.43
    1-chlorotetradecane 0.09
    n-nonane 0.05
    undecane 0.03
    tert-butylcyclohexane 0.07
    cyclooctane 0.05
    cyclopentanol 11.24
    tetrahydropyran 17.52
    tert-amyl methyl ether 2.0
    2,5,8-trioxanonane 16.44
    1-hexene 0.71
    2-isopropoxyethanol 16.29
    2,2,2-trifluoroethanol 8.71
    methyl butyrate 3.84

    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