(3alpha,7alpha,15alpha,24E)-3-(Acetyloxy)-15-hydroxy-7-methoxylanosta-8,24-dien-26-oic acid

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  • Identifiers

    CAS number
    110024-16-3

    Molecular formula
    C33H52O6

    SMILES
    C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CCC3=C2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)OC)C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 81.21%
    Amber 49.3%
    Cedar 44.66%
    Dry 44.36%
    Sandalwood 42.95%
    Balsamic 39.69%
    Vetiver 36.21%
    Musk 33.85%
    Powdery 32.28%
    Pine 29.84%

     

    Flavor
    Woody 55.44%
    Bitter 42.22%
    Herbal 29.32%
    Pine 28.53%
    Camphor 28.34%
    Balsam 26.53%
    Sweet 24.21%
    Ionone 22.31%
    Sandalwood 22.03%
    Wood 21.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    4.28 (weak acid)

    Molecular weight
    544.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    511°C

    Flash point

    • 261.07 ˚C est.

  • Synonyms

    • 110024-16-3
    • (E,6R)-6-((3R,5R,7R,10S,13R,14R,15S,17R)-3-acetyloxy-15-hydroxy-7-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methylhept-2-enoic acid
    • (E,6R)-6-[(3R,5R,7R,10S,13R,14R,15S,17R)-3-acetyloxy-15-hydroxy-7-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
    • RefChem:69146
    • (3alpha,7alpha,15alpha,24E)-3-(Acetyloxy)-15-hydroxy-7-methoxylanosta-8,24-dien-26-oic acid
    • CHEMBL4129525
    • DTXSID101135990
    • (24E)-3alpha-(Acetyloxy)-15alpha-hydroxy-7alpha-methoxylanosta-8,24-dien-26-oic acid
    • (3I+/-,7I+/-,15I+/-,24E)-3-(Acetyloxy)-15-hydroxy-7-methoxylanosta-8,24-dien-26-oic acid
    • 110024-16-3

  • Applications

    (3alpha,7alpha,15alpha,24E)-3-(Acetyloxy)-15-hydroxy-7-methoxylanosta-8,24-dien-26-oic acid, CAS number: 110024-16-3, is a lanostane-type triterpenoid featuring an acetyl ester at C-3 and a methoxy group at C-7. It is commonly used as a synthetic intermediate and building block in pharmaceutical and agrochemical research for the preparation of triterpenoid derivatives. Potential real-world applications include: serving as a starting material in the synthesis of drug leads; acting as a precursor for cosmetic ingredient development in the personal care sector; used in academic and industrial R&D as a natural-product-inspired scaffold for further functionalization; and supporting industrial manufacturing as a precursor for complex organic syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.8
    methanol 14.38
    isopropanol 8.25
    water 0.01
    ethyl acetate 3.08
    n-propanol 13.89
    acetone 9.5
    n-butanol 8.67
    acetonitrile 2.26
    DMF 33.75
    toluene 2.92
    isobutanol 6.56
    1,4-dioxane 20.14
    methyl acetate 3.95
    THF 40.62
    2-butanone 9.61
    n-pentanol 8.33
    sec-butanol 4.18
    n-hexane 0.13
    ethylene glycol 1.49
    NMP 28.0
    cyclohexane 0.16
    DMSO 21.81
    n-butyl acetate 3.31
    n-octanol 2.52
    chloroform 15.19
    n-propyl acetate 3.36
    acetic acid 8.33
    dichloromethane 9.36
    cyclohexanone 15.53
    propylene glycol 3.37
    isopropyl acetate 2.56
    DMAc 34.31
    2-ethoxyethanol 18.2
    isopentanol 4.68
    n-heptane 0.08
    ethyl formate 3.15
    1,2-dichloroethane 5.48
    n-hexanol 5.93
    2-methoxyethanol 23.93
    isobutyl acetate 2.71
    tetrachloromethane 1.98
    n-pentyl acetate 5.29
    transcutol 16.9
    n-heptanol 4.51
    ethylbenzene 1.52
    MIBK 3.82
    2-propoxyethanol 27.85
    tert-butanol 4.26
    MTBE 2.74
    2-butoxyethanol 16.53
    propionic acid 4.55
    o-xylene 1.63
    formic acid 3.98
    diethyl ether 3.74
    m-xylene 1.71
    p-xylene 1.95
    chlorobenzene 3.34
    dimethyl carbonate 3.3
    n-octane 0.05
    formamide 5.14
    cyclopentanone 20.93
    2-pentanone 6.45
    anisole 4.65
    cyclopentyl methyl ether 6.31
    gamma-butyrolactone 14.6
    1-methoxy-2-propanol 19.54
    pyridine 15.02
    3-pentanone 5.14
    furfural 12.14
    n-dodecane 0.03
    diethylene glycol 13.91
    diisopropyl ether 0.64
    tert-amyl alcohol 3.01
    acetylacetone 6.03
    n-hexadecane 0.04
    acetophenone 5.65
    methyl propionate 4.81
    isopentyl acetate 3.66
    trichloroethylene 11.8
    n-nonanol 2.85
    cyclohexanol 3.66
    benzyl alcohol 7.51
    2-ethylhexanol 1.95
    isooctanol 2.99
    dipropyl ether 2.06
    1,2-dichlorobenzene 3.1
    ethyl lactate 3.0
    propylene carbonate 5.0
    n-methylformamide 11.62
    2-pentanol 2.58
    n-pentane 0.12
    1-propoxy-2-propanol 13.44
    1-methoxy-2-propyl acetate 6.66
    2-(2-methoxypropoxy) propanol 8.5
    mesitylene 0.87
    ε-caprolactone 10.77
    p-cymene 0.78
    epichlorohydrin 19.48
    1,1,1-trichloroethane 3.63
    2-aminoethanol 6.38
    morpholine-4-carbaldehyde 31.7
    sulfolane 20.15
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 10.01
    n-hexyl acetate 5.32
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 12.56
    sec-butyl acetate 2.1
    tert-butyl acetate 2.86
    decalin 0.13
    glycerin 5.58
    diglyme 19.13
    acrylic acid 4.61
    isopropyl myristate 1.25
    n-butyric acid 6.56
    acetyl acetate 2.32
    di(2-ethylhexyl) phthalate 3.48
    ethyl propionate 2.56
    nitromethane 9.61
    1,2-diethoxyethane 4.88
    benzonitrile 4.08
    trioctyl phosphate 2.07
    1-bromopropane 2.59
    gamma-valerolactone 36.69
    n-decanol 1.45
    triethyl phosphate 1.72
    4-methyl-2-pentanol 1.61
    propionitrile 3.27
    vinylene carbonate 6.12
    1,1,2-trichlorotrifluoroethane 15.72
    DMS 3.69
    cumene 1.0
    2-octanol 1.82
    2-hexanone 6.27
    octyl acetate 2.18
    limonene 0.9
    1,2-dimethoxyethane 19.88
    ethyl orthosilicate 1.88
    tributyl phosphate 1.68
    diacetone alcohol 6.09
    N,N-dimethylaniline 3.62
    acrylonitrile 4.29
    aniline 5.0
    1,3-propanediol 11.69
    bromobenzene 2.98
    dibromomethane 5.71
    1,1,2,2-tetrachloroethane 10.8
    2-methyl-cyclohexyl acetate 3.76
    tetrabutyl urea 3.25
    diisobutyl methanol 0.79
    2-phenylethanol 8.09
    styrene 1.7
    dioctyl adipate 2.92
    dimethyl sulfate 5.76
    ethyl butyrate 2.36
    methyl lactate 4.63
    butyl lactate 5.93
    diethyl carbonate 1.45
    propanediol butyl ether 12.22
    triethyl orthoformate 2.66
    p-tert-butyltoluene 0.72
    methyl 4-tert-butylbenzoate 6.81
    morpholine 29.83
    tert-butylamine 1.35
    n-dodecanol 0.72
    dimethoxymethane 21.77
    ethylene carbonate 4.88
    cyrene 12.85
    2-ethoxyethyl acetate 8.75
    2-ethylhexyl acetate 2.8
    1,2,4-trichlorobenzene 4.46
    4-methylpyridine 9.89
    dibutyl ether 1.17
    2,6-dimethyl-4-heptanol 0.79
    DEF 7.42
    dimethyl isosorbide 12.05
    tetrachloroethylene 7.49
    eugenol 8.98
    triacetin 5.28
    span 80 7.89
    1,4-butanediol 5.82
    1,1-dichloroethane 4.23
    2-methyl-1-pentanol 4.75
    methyl formate 6.0
    2-methyl-1-butanol 4.71
    n-decane 0.09
    butyronitrile 3.37
    3,7-dimethyl-1-octanol 1.6
    1-chlorooctane 0.65
    1-chlorotetradecane 0.15
    n-nonane 0.07
    undecane 0.05
    tert-butylcyclohexane 0.11
    cyclooctane 0.07
    cyclopentanol 6.51
    tetrahydropyran 11.13
    tert-amyl methyl ether 1.98
    2,5,8-trioxanonane 11.18
    1-hexene 0.8
    2-isopropoxyethanol 10.08
    2,2,2-trifluoroethanol 3.11
    methyl butyrate 3.76

    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