(20S,24Z)-3,21-Dioxo-13alpha,14beta,17alpha-lanosta-8,24-dien-26-oic acid

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  • Identifiers

    CAS number
    62499-11-0

    Molecular formula
    C30H44O4

    SMILES
    C/C(=C/CC[C@H](C=O)[C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)/C(=O)O

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  • Odor profile

    Fragrance
    Woody 81.52%
    Amber 48.45%
    Sandalwood 42.15%
    Dry 42.11%
    Cedar 40.41%
    Vetiver 34.97%
    Musk 32.94%
    Powdery 31.3%
    Orris 30.52%
    Animal 29.44%

     

    Flavor
    Woody 51.45%
    Herbal 27.72%
    Bitter 26.54%
    Balsam 25.4%
    Spicy 22.98%
    Camphor 22.12%
    Sandalwood 21.62%
    Heather 20.05%
    Wood 20.04%
    Ionone 20.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    5.76 (weak acid)

    Molecular weight
    468.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    443°C

    Flash point

    • 279.69 ˚C est.

  • Synonyms

    • DTXSID801181875
    • (13I+/-,14I(2),17I+/-,20S,24Z)-3,21-Dioxolanosta-8,24-dien-26-oic acid
    • (20S,24Z)-3,21-Dioxo-13alpha,14beta,17alpha-lanosta-8,24-dien-26-oic acid
    • 62499-11-0
    • 62499-11-0

  • Applications

    Chemical name: (20S,24Z)-3,21-Dioxo-13alpha,14beta,17alpha-lanosta-8,24-dien-26-oic acid; CAS number: 62499-11-0. In pharmaceutical development, the compound is primarily evaluated as a steroidal triterpenoid intermediate or building block for semi-synthetic derivatives. In cosmetics and personal care, it may be explored as a specialty lipophilic ingredient or scaffold for functionalized triterpenes. In industrial manufacturing and materials research, it can serve as a chiral building block for synthesis of complex organic molecules and derivatization into steroid-like materials. In research and development, it is often used as a natural product lead scaffold for the exploration of structure-activity relationships and for obtaining derivative libraries. If used in formulations, it would be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.87
    methanol 18.14
    isopropanol 15.23
    water 0.01
    ethyl acetate 3.69
    n-propanol 20.96
    acetone 8.82
    n-butanol 11.88
    acetonitrile 2.45
    DMF 51.56
    toluene 4.47
    isobutanol 9.32
    1,4-dioxane 22.88
    methyl acetate 4.01
    THF 37.52
    2-butanone 9.54
    n-pentanol 7.72
    sec-butanol 5.54
    n-hexane 0.17
    ethylene glycol 1.9
    NMP 19.26
    cyclohexane 0.19
    DMSO 14.15
    n-butyl acetate 3.49
    n-octanol 1.96
    chloroform 18.25
    n-propyl acetate 3.1
    acetic acid 7.24
    dichloromethane 9.42
    cyclohexanone 13.09
    propylene glycol 3.85
    isopropyl acetate 3.71
    DMAc 28.91
    2-ethoxyethanol 20.3
    isopentanol 6.61
    n-heptane 0.1
    ethyl formate 2.91
    1,2-dichloroethane 5.29
    n-hexanol 7.22
    2-methoxyethanol 33.32
    isobutyl acetate 2.79
    tetrachloromethane 2.18
    n-pentyl acetate 5.12
    transcutol 22.8
    n-heptanol 4.26
    ethylbenzene 1.95
    MIBK 4.95
    2-propoxyethanol 38.76
    tert-butanol 7.49
    MTBE 3.55
    2-butoxyethanol 18.33
    propionic acid 5.06
    o-xylene 2.16
    formic acid 3.64
    diethyl ether 5.51
    m-xylene 2.64
    p-xylene 2.31
    chlorobenzene 4.23
    dimethyl carbonate 4.23
    n-octane 0.06
    formamide 5.55
    cyclopentanone 17.96
    2-pentanone 7.15
    anisole 5.82
    cyclopentyl methyl ether 7.59
    gamma-butyrolactone 13.48
    1-methoxy-2-propanol 29.68
    pyridine 16.91
    3-pentanone 4.99
    furfural 12.24
    n-dodecane 0.03
    diethylene glycol 18.32
    diisopropyl ether 1.01
    tert-amyl alcohol 3.53
    acetylacetone 6.75
    n-hexadecane 0.04
    acetophenone 5.53
    methyl propionate 5.59
    isopentyl acetate 4.12
    trichloroethylene 13.26
    n-nonanol 2.34
    cyclohexanol 3.98
    benzyl alcohol 7.83
    2-ethylhexanol 2.07
    isooctanol 2.94
    dipropyl ether 2.77
    1,2-dichlorobenzene 3.61
    ethyl lactate 3.4
    propylene carbonate 4.8
    n-methylformamide 15.46
    2-pentanol 3.81
    n-pentane 0.17
    1-propoxy-2-propanol 18.44
    1-methoxy-2-propyl acetate 9.23
    2-(2-methoxypropoxy) propanol 8.87
    mesitylene 1.28
    ε-caprolactone 9.84
    p-cymene 0.99
    epichlorohydrin 20.43
    1,1,1-trichloroethane 4.23
    2-aminoethanol 9.33
    morpholine-4-carbaldehyde 33.44
    sulfolane 14.54
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 9.18
    n-hexyl acetate 4.76
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 13.2
    sec-butyl acetate 2.21
    tert-butyl acetate 4.23
    decalin 0.15
    glycerin 6.19
    diglyme 22.44
    acrylic acid 4.46
    isopropyl myristate 1.28
    n-butyric acid 8.14
    acetyl acetate 2.7
    di(2-ethylhexyl) phthalate 3.27
    ethyl propionate 2.71
    nitromethane 8.29
    1,2-diethoxyethane 5.82
    benzonitrile 4.69
    trioctyl phosphate 1.83
    1-bromopropane 3.04
    gamma-valerolactone 38.59
    n-decanol 1.19
    triethyl phosphate 1.84
    4-methyl-2-pentanol 2.43
    propionitrile 4.65
    vinylene carbonate 5.99
    1,1,2-trichlorotrifluoroethane 14.94
    DMS 4.36
    cumene 1.24
    2-octanol 1.76
    2-hexanone 5.3
    octyl acetate 1.95
    limonene 1.04
    1,2-dimethoxyethane 22.68
    ethyl orthosilicate 2.06
    tributyl phosphate 1.57
    diacetone alcohol 7.94
    N,N-dimethylaniline 4.13
    acrylonitrile 6.03
    aniline 7.0
    1,3-propanediol 16.6
    bromobenzene 3.72
    dibromomethane 5.9
    1,1,2,2-tetrachloroethane 11.21
    2-methyl-cyclohexyl acetate 3.66
    tetrabutyl urea 2.73
    diisobutyl methanol 1.17
    2-phenylethanol 9.5
    styrene 2.21
    dioctyl adipate 2.73
    dimethyl sulfate 6.25
    ethyl butyrate 2.55
    methyl lactate 5.9
    butyl lactate 6.6
    diethyl carbonate 1.62
    propanediol butyl ether 10.6
    triethyl orthoformate 3.13
    p-tert-butyltoluene 0.99
    methyl 4-tert-butylbenzoate 7.59
    morpholine 35.39
    tert-butylamine 2.54
    n-dodecanol 0.62
    dimethoxymethane 32.29
    ethylene carbonate 4.83
    cyrene 10.85
    2-ethoxyethyl acetate 9.28
    2-ethylhexyl acetate 2.98
    1,2,4-trichlorobenzene 5.01
    4-methylpyridine 12.24
    dibutyl ether 1.27
    2,6-dimethyl-4-heptanol 1.17
    DEF 7.61
    dimethyl isosorbide 13.93
    tetrachloroethylene 7.84
    eugenol 9.84
    triacetin 5.68
    span 80 7.41
    1,4-butanediol 5.75
    1,1-dichloroethane 5.33
    2-methyl-1-pentanol 4.12
    methyl formate 6.76
    2-methyl-1-butanol 5.52
    n-decane 0.08
    butyronitrile 4.42
    3,7-dimethyl-1-octanol 1.53
    1-chlorooctane 0.56
    1-chlorotetradecane 0.14
    n-nonane 0.07
    undecane 0.05
    tert-butylcyclohexane 0.13
    cyclooctane 0.08
    cyclopentanol 6.66
    tetrahydropyran 12.73
    tert-amyl methyl ether 2.24
    2,5,8-trioxanonane 12.76
    1-hexene 0.93
    2-isopropoxyethanol 11.12
    2,2,2-trifluoroethanol 2.9
    methyl butyrate 3.54

    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