Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)-

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  • Identifiers

    CAS number
    1721-69-3

    Molecular formula
    C34H54O4

    SMILES
    CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)COC(=O)C

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  • Odor profile

    Fragrance
    Woody 89.68%
    Amber 52.93%
    Cedar 52.78%
    Dry 49.83%
    Sweet 46.59%
    Sandalwood 43.34%
    Balsamic 42.62%
    Vetiver 41.81%
    Pine 38.58%
    Powdery 37.61%

     

    Flavor
    Sweet 69.01%
    Woody 68.99%
    Pine 48.15%
    Herbal 46.64%
    Balsam 44.22%
    Camphor 43.76%
    Dry 34.78%
    Citrus 32.74%
    Wood 32.27%
    Fresh 30.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.4

    pKa est.
    6.2 (neutral)

    Molecular weight
    526.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    516°C

    Flash point

    • 241.94 ˚C est.

  • Synonyms

    • Betulin diacetate
    • 1721-69-3
    • betulinol diacetate
    • 3,28-Di-O-acetylbetulin
    • betulinol biacetate
    • U2YW502S1Q
    • (+)-betulin diacetate
    • 3,28-diacetoxy-betulin
    • NSC-38876
    • DTXSID701244307
    • [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate
    • ((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta(a)chrysen-3a-yl)methyl acetate
    • RefChem:119565
    • DTXCID501675172
    • Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)-
    • 217-015-5
    • Betulindiacetate
    • betulin 3,28-diacetate
    • Lup-20(29)-ene-3,28-diol, diacetate, (3beta)-
    • NSC38876
    • MFCD00017378
    • [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetoxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate
    • 43124-92-1
    • UNII-U2YW502S1Q
    • EINECS 217-015-5
    • Dihydrobetulin diacetate
    • Betulin3,28-diacetate
    • BETULIN DIACETATE [MI]
    • CHEMBL359080
    • MEGxp0_001895
    • orb1987321
    • SCHEMBL6112851
    • ACon1_000228
    • HY-N9437
    • BDBM50483932
    • NSC 38876
    • AKOS040744748
    • FB65621
    • Lup-20(29)-ene-3.beta., diacetate
    • NCGC00180761-01
    • AS-82564
    • NCI60_003697
    • 20(29)-Lupene-3beta, 28beta-diacetate
    • CS-0169355
    • 3beta-Lup-20(29)-ene-3,28-diyl diacetate
    • G12065
    • Lup-20(29)-ene-3, diacetate, (3.beta.)-
    • Betulin 3,28-diacetate, analytical reference material
    • Q27290607
    • Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3I(2))-
    • LUP-20(29)-ENE-3,28-DIOL, 3,28-DIACETATE, (3.BETA.)-
    • [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methylacetate
    • Acetic acid (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetoxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-eicosahydro-cyclopenta[a]chrysen-3a-ylmethyl ester
    • 1721-69-3

  • Applications

    Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)- (CAS 1721-69-3) is typically used as an intermediate and building block in the synthesis of lupane-type triterpenoids, supporting pharmaceutical development and structure-activity relationship exploration. It is also evaluated in cosmetics and personal care as a lupane-derived scaffold for potential active ingredients and to support formulation research. In materials and manufacturing, it can serve as a starting material for functionalized terpenoid polymers or plasticizers/additives for resin-based systems and coatings. In coatings and inks, it is explored as a natural-source feedstock for components that enhance durability and environmental compatibility, and in agricultural chemistry as a scaffold for derivatization to probe bioactivity.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.75
    methanol 9.47
    isopropanol 18.4
    water 0.03
    ethyl acetate 14.75
    n-propanol 26.24
    acetone 19.67
    n-butanol 21.26
    acetonitrile 9.65
    DMF 60.99
    toluene 19.46
    isobutanol 16.73
    1,4-dioxane 38.2
    methyl acetate 12.89
    THF 78.78
    2-butanone 22.88
    n-pentanol 16.06
    sec-butanol 12.21
    n-hexane 0.43
    ethylene glycol 2.15
    NMP 61.87
    cyclohexane 0.61
    DMSO 22.77
    n-butyl acetate 12.57
    n-octanol 5.71
    chloroform 83.99
    n-propyl acetate 11.37
    acetic acid 19.46
    dichloromethane 40.84
    cyclohexanone 37.22
    propylene glycol 5.57
    isopropyl acetate 14.24
    DMAc 63.7
    2-ethoxyethanol 27.38
    isopentanol 14.61
    n-heptane 0.31
    ethyl formate 8.2
    1,2-dichloroethane 20.43
    n-hexanol 13.77
    2-methoxyethanol 33.97
    isobutyl acetate 11.49
    tetrachloromethane 9.57
    n-pentyl acetate 17.09
    transcutol 45.83
    n-heptanol 9.79
    ethylbenzene 6.98
    MIBK 15.21
    2-propoxyethanol 55.46
    tert-butanol 11.31
    MTBE 8.98
    2-butoxyethanol 33.43
    propionic acid 14.67
    o-xylene 8.02
    formic acid 5.79
    diethyl ether 12.91
    m-xylene 10.84
    p-xylene 8.15
    chlorobenzene 22.85
    dimethyl carbonate 14.01
    n-octane 0.13
    formamide 8.55
    cyclopentanone 50.46
    2-pentanone 20.66
    anisole 18.8
    cyclopentyl methyl ether 24.23
    gamma-butyrolactone 47.75
    1-methoxy-2-propanol 43.72
    pyridine 46.27
    3-pentanone 16.55
    furfural 42.05
    n-dodecane 0.08
    diethylene glycol 24.34
    diisopropyl ether 3.05
    tert-amyl alcohol 8.21
    acetylacetone 23.42
    n-hexadecane 0.1
    acetophenone 20.38
    methyl propionate 18.79
    isopentyl acetate 15.39
    trichloroethylene 60.14
    n-nonanol 6.59
    cyclohexanol 12.1
    benzyl alcohol 20.71
    2-ethylhexanol 6.13
    isooctanol 8.01
    dipropyl ether 7.3
    1,2-dichlorobenzene 21.04
    ethyl lactate 10.81
    propylene carbonate 23.86
    n-methylformamide 19.41
    2-pentanol 9.84
    n-pentane 0.5
    1-propoxy-2-propanol 33.69
    1-methoxy-2-propyl acetate 28.91
    2-(2-methoxypropoxy) propanol 22.01
    mesitylene 4.58
    ε-caprolactone 34.08
    p-cymene 3.58
    epichlorohydrin 56.53
    1,1,1-trichloroethane 23.07
    2-aminoethanol 9.71
    morpholine-4-carbaldehyde 67.85
    sulfolane 52.17
    2,2,4-trimethylpentane 0.34
    2-methyltetrahydrofuran 29.09
    n-hexyl acetate 17.07
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 27.88
    sec-butyl acetate 9.33
    tert-butyl acetate 15.07
    decalin 0.53
    glycerin 9.46
    diglyme 49.22
    acrylic acid 13.65
    isopropyl myristate 5.0
    n-butyric acid 24.07
    acetyl acetate 13.11
    di(2-ethylhexyl) phthalate 10.47
    ethyl propionate 11.25
    nitromethane 27.16
    1,2-diethoxyethane 13.22
    benzonitrile 17.16
    trioctyl phosphate 6.34
    1-bromopropane 11.86
    gamma-valerolactone 85.3
    n-decanol 3.46
    triethyl phosphate 7.5
    4-methyl-2-pentanol 6.32
    propionitrile 13.52
    vinylene carbonate 26.95
    1,1,2-trichlorotrifluoroethane 46.36
    DMS 14.59
    cumene 4.24
    2-octanol 4.56
    2-hexanone 14.81
    octyl acetate 7.17
    limonene 3.82
    1,2-dimethoxyethane 34.7
    ethyl orthosilicate 7.94
    tributyl phosphate 6.08
    diacetone alcohol 21.86
    N,N-dimethylaniline 13.37
    acrylonitrile 16.3
    aniline 23.08
    1,3-propanediol 18.6
    bromobenzene 23.42
    dibromomethane 25.72
    1,1,2,2-tetrachloroethane 48.29
    2-methyl-cyclohexyl acetate 13.74
    tetrabutyl urea 9.34
    diisobutyl methanol 3.16
    2-phenylethanol 22.97
    styrene 8.34
    dioctyl adipate 10.55
    dimethyl sulfate 23.55
    ethyl butyrate 10.78
    methyl lactate 16.65
    butyl lactate 18.2
    diethyl carbonate 7.14
    propanediol butyl ether 23.35
    triethyl orthoformate 11.16
    p-tert-butyltoluene 3.47
    methyl 4-tert-butylbenzoate 25.15
    morpholine 54.76
    tert-butylamine 5.03
    n-dodecanol 1.79
    dimethoxymethane 45.41
    ethylene carbonate 21.11
    cyrene 32.31
    2-ethoxyethyl acetate 26.39
    2-ethylhexyl acetate 11.61
    1,2,4-trichlorobenzene 29.31
    4-methylpyridine 40.46
    dibutyl ether 3.74
    2,6-dimethyl-4-heptanol 3.16
    DEF 22.81
    dimethyl isosorbide 37.69
    tetrachloroethylene 30.68
    eugenol 27.58
    triacetin 21.97
    span 80 19.63
    1,4-butanediol 8.2
    1,1-dichloroethane 21.49
    2-methyl-1-pentanol 11.09
    methyl formate 11.21
    2-methyl-1-butanol 13.82
    n-decane 0.22
    butyronitrile 13.36
    3,7-dimethyl-1-octanol 5.03
    1-chlorooctane 1.98
    1-chlorotetradecane 0.45
    n-nonane 0.18
    undecane 0.12
    tert-butylcyclohexane 0.46
    cyclooctane 0.26
    cyclopentanol 16.69
    tetrahydropyran 30.48
    tert-amyl methyl ether 7.35
    2,5,8-trioxanonane 27.69
    1-hexene 2.72
    2-isopropoxyethanol 20.05
    2,2,2-trifluoroethanol 10.07
    methyl butyrate 13.65

    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