16,23-Cyclolanost-8-en-26-oic acid, 7,12,23-trihydroxy-3,11,15-trioxo-, gamma-lactone, (7beta,12beta,16alpha,23beta,25R)-

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  • Identifiers

    CAS number
    138008-04-5

    Molecular formula
    C30H40O7

    SMILES
    CC1CC2(CC(C(=O)O2)C)C3C1C4(C(C(=O)C5=C(C4(C3=O)C)C(CC6C5(CCC(=O)C6(C)C)C)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 53.69%
    Spicy 34.03%
    Odorless 34.02%
    Sweet 30.64%
    Camphoreous 29.05%
    Mint 26.58%
    Tobacco 26.39%
    Cedar 23.86%
    Dry 22.05%
    Cooling 21.66%

     

    Flavor
    Bitter 93.79%
    Cedarleaf 22.19%
    Sweet-like 20.73%
    Ripe apricot 20.18%
    Red fruit 19.79%
    Lovage 19.62%
    Parsley 19.6%
    Bland 19.57%
    Fenugreek 19.19%
    Leaves 18.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    4.48 (weak acid)

    Molecular weight
    512.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    200°C

    Melting point expt.

    • 238 - 240 °C

    Flash point

    • 228.12 ˚C est.

  • Synonyms

    • 138008-04-5
    • RefChem:1057551
    • 16,23-Cyclolanost-8-en-26-oic acid, 7,12,23-trihydroxy-3,11,15-trioxo-, gamma-lactone, (7beta,12beta,16alpha,23beta,25R)-
    • CHEBI:183586
    • 10',20'-dihydroxy-2',3,7',9',13',17',17'-heptamethylspiro[oxolane-5,5'-pentacyclo[10.8.0.02,9.04,8.013,18]icos-1(12)-ene]-2,3',11',16'-tetrone
    • 138008-04-5

  • Applications

    16,23-Cyclolanost-8-en-26-oic acid, 7,12,23-trihydroxy-3,11,15-trioxo-, gamma-lactone, (7beta,12beta,16alpha,23beta,25R)- (CAS 138008-04-5) is a steroidal triterpenoid derivative commonly used as an intermediate or chiral building block in pharmaceutical synthesis for complex steroid frameworks. In cosmetics and personal care, it may serve as a precursor to steroid-derived actives or functional ingredients within formulation constraints. The compound may also be explored as an agrochemical lead or intermediate in agrochemical research, and it can provide an analytical reference in synthetic chemistry studies, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.09
    methanol 49.34
    isopropanol 25.94
    water 0.18
    ethyl acetate 21.54
    n-propanol 31.89
    acetone 59.2
    n-butanol 24.08
    acetonitrile 28.75
    DMF 195.11
    toluene 9.89
    isobutanol 18.13
    1,4-dioxane 72.48
    methyl acetate 27.97
    THF 140.51
    2-butanone 38.77
    n-pentanol 14.22
    sec-butanol 11.96
    n-hexane 0.32
    ethylene glycol 14.42
    NMP 139.14
    cyclohexane 0.53
    DMSO 146.67
    n-butyl acetate 13.49
    n-octanol 4.06
    chloroform 60.98
    n-propyl acetate 12.7
    acetic acid 76.74
    dichloromethane 39.71
    cyclohexanone 63.75
    propylene glycol 14.89
    isopropyl acetate 15.82
    DMAc 123.38
    2-ethoxyethanol 43.42
    isopentanol 13.97
    n-heptane 0.2
    ethyl formate 22.44
    1,2-dichloroethane 24.99
    n-hexanol 12.89
    2-methoxyethanol 101.34
    isobutyl acetate 9.08
    tetrachloromethane 8.12
    n-pentyl acetate 13.31
    transcutol 28.52
    n-heptanol 7.82
    ethylbenzene 3.76
    MIBK 16.8
    2-propoxyethanol 66.9
    tert-butanol 15.96
    MTBE 6.84
    2-butoxyethanol 31.24
    propionic acid 28.9
    o-xylene 4.74
    formic acid 43.92
    diethyl ether 13.85
    m-xylene 5.35
    p-xylene 5.04
    chlorobenzene 14.66
    dimethyl carbonate 33.34
    n-octane 0.11
    formamide 57.81
    cyclopentanone 114.07
    2-pentanone 30.82
    anisole 11.28
    cyclopentyl methyl ether 23.62
    gamma-butyrolactone 121.41
    1-methoxy-2-propanol 75.9
    pyridine 57.36
    3-pentanone 21.0
    furfural 80.23
    n-dodecane 0.08
    diethylene glycol 56.56
    diisopropyl ether 2.2
    tert-amyl alcohol 8.45
    acetylacetone 43.23
    n-hexadecane 0.1
    acetophenone 16.7
    methyl propionate 31.53
    isopentyl acetate 12.36
    trichloroethylene 61.66
    n-nonanol 4.56
    cyclohexanol 11.92
    benzyl alcohol 18.86
    2-ethylhexanol 4.36
    isooctanol 5.44
    dipropyl ether 5.32
    1,2-dichlorobenzene 12.31
    ethyl lactate 12.79
    propylene carbonate 39.99
    n-methylformamide 93.56
    2-pentanol 8.18
    n-pentane 0.36
    1-propoxy-2-propanol 28.77
    1-methoxy-2-propyl acetate 26.75
    2-(2-methoxypropoxy) propanol 16.6
    mesitylene 2.4
    ε-caprolactone 48.36
    p-cymene 2.15
    epichlorohydrin 109.63
    1,1,1-trichloroethane 20.95
    2-aminoethanol 28.64
    morpholine-4-carbaldehyde 148.99
    sulfolane 132.47
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 34.67
    n-hexyl acetate 12.59
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 21.29
    sec-butyl acetate 7.38
    tert-butyl acetate 13.31
    decalin 0.29
    glycerin 34.61
    diglyme 41.24
    acrylic acid 39.03
    isopropyl myristate 3.44
    n-butyric acid 37.67
    acetyl acetate 21.02
    di(2-ethylhexyl) phthalate 8.26
    ethyl propionate 11.7
    nitromethane 119.42
    1,2-diethoxyethane 10.9
    benzonitrile 19.16
    trioctyl phosphate 5.53
    1-bromopropane 10.06
    gamma-valerolactone 184.64
    n-decanol 2.48
    triethyl phosphate 5.82
    4-methyl-2-pentanol 5.03
    propionitrile 24.1
    vinylene carbonate 47.97
    1,1,2-trichlorotrifluoroethane 79.75
    DMS 17.4
    cumene 2.26
    2-octanol 3.43
    2-hexanone 16.24
    octyl acetate 5.75
    limonene 2.52
    1,2-dimethoxyethane 52.73
    ethyl orthosilicate 5.02
    tributyl phosphate 5.03
    diacetone alcohol 25.11
    N,N-dimethylaniline 8.04
    acrylonitrile 39.91
    aniline 18.95
    1,3-propanediol 48.05
    bromobenzene 12.66
    dibromomethane 22.68
    1,1,2,2-tetrachloroethane 40.72
    2-methyl-cyclohexyl acetate 9.33
    tetrabutyl urea 8.43
    diisobutyl methanol 2.27
    2-phenylethanol 20.39
    styrene 4.6
    dioctyl adipate 7.41
    dimethyl sulfate 55.06
    ethyl butyrate 8.25
    methyl lactate 33.78
    butyl lactate 14.68
    diethyl carbonate 6.3
    propanediol butyl ether 20.87
    triethyl orthoformate 7.12
    p-tert-butyltoluene 1.98
    methyl 4-tert-butylbenzoate 16.52
    morpholine 90.38
    tert-butylamine 4.71
    n-dodecanol 1.4
    dimethoxymethane 112.63
    ethylene carbonate 38.7
    cyrene 32.23
    2-ethoxyethyl acetate 23.22
    2-ethylhexyl acetate 8.7
    1,2,4-trichlorobenzene 18.09
    4-methylpyridine 42.14
    dibutyl ether 2.5
    2,6-dimethyl-4-heptanol 2.27
    DEF 37.0
    dimethyl isosorbide 32.59
    tetrachloroethylene 30.44
    eugenol 18.58
    triacetin 15.95
    span 80 16.36
    1,4-butanediol 17.56
    1,1-dichloroethane 22.72
    2-methyl-1-pentanol 8.95
    methyl formate 65.14
    2-methyl-1-butanol 12.21
    n-decane 0.19
    butyronitrile 19.54
    3,7-dimethyl-1-octanol 3.31
    1-chlorooctane 1.38
    1-chlorotetradecane 0.42
    n-nonane 0.15
    undecane 0.12
    tert-butylcyclohexane 0.23
    cyclooctane 0.18
    cyclopentanol 24.74
    tetrahydropyran 34.12
    tert-amyl methyl ether 4.99
    2,5,8-trioxanonane 25.54
    1-hexene 1.89
    2-isopropoxyethanol 21.76
    2,2,2-trifluoroethanol 35.0
    methyl butyrate 16.0

    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