Chrodrimanin B

Overview IFRA Request a quote

  • Identifiers

    CAS number
    132196-54-4

    Molecular formula
    C27H32O8

    SMILES
    C[C@@H]1[C@@H](C2=C(C(=CC3=C2C[C@H]4[C@]5(C=CC(=O)C([C@@H]5C[C@@H]([C@@]4(O3)C)O)(C)C)C)O)C(=O)O1)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 45.83%
    Sweet 32.97%
    Spicy 30.44%
    Woody 28.92%
    Mint 25.7%
    Phenolic 22.45%
    Lactonic 21.15%
    Vanilla 21.01%
    Powdery 19.9%
    Creamy 19.63%

     

    Flavor
    Bitter 88.85%
    Bland 21.68%
    Cedarleaf 21.25%
    Sweet-like 20.6%
    Ripe apricot 20.35%
    Odorless 20.22%
    Red fruit 20.15%
    Parsley 20.08%
    Lovage 19.7%
    Leaves 19.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    5.28 (weak acid)

    Molecular weight
    484.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1027°C

    Flash point

    • 243.51 ˚C est.

  • Synonyms

    • Chrodrimanin B
    • [(1S,5R,6R,14R,15S,17R,22S)-10,15-dihydroxy-6,14,18,18,22-pentamethyl-8,19-dioxo-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraen-5-yl] acetate
    • ((1S,5R,6R,14R,15S,17R,22S)-10,15-dihydroxy-6,14,18,18,22-pentamethyl-8,19-dioxo-7,13-dioxapentacyclo(12.8.0.03,12.04,9.017,22)docosa-3(12),4(9),10,20-tetraen-5-yl) acetate
    • RefChem:125818
    • 132196-54-4
    • (1R,2R,7aR,8S,9aR,13aS,13bS)-1-(acetyloxy)-1,8,9,9a,10,13a,13b,14-octahydro-5,8-dihydroxy-2,7a,10,10,13a-pentamethyl-2H,4H-benzo[a]pyrano[3,4-j]xanthene-4,11(7aH)-dione
    • orb1990840
    • CHEMBL3581316
    • Chrodrimanin B, Thailandolide B
    • CHEBI:156420
    • HY-N8472
    • AKOS040736007
    • NCGC00385361-01
    • DA-72196
    • CS-0144645
    • 132196-54-4

  • Applications

    Chrodrimanin B (CAS 132196-54-4) is a natural product studied mainly as a lead compound and research tool in pharmaceutical and chemical biology contexts. Real-world applications typically focus on evaluation as a potential drug lead and as a chemical probe for structure–activity studies, as well as its use as an intermediate in the organic synthesis of complex derivatives and as a reference material in natural product analysis. In the broader agrochemical and crop-protection research space, it may be evaluated as a lead compound for biologically active agents and as a research probe to explore targets relevant to protecting crops. Overall, its role is largely research-oriented and its use is constrained by regulatory and formulation considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.76
    methanol 29.4
    isopropanol 9.54
    water 0.06
    ethyl acetate 12.92
    n-propanol 14.12
    acetone 40.29
    n-butanol 7.7
    acetonitrile 24.02
    DMF 95.96
    toluene 2.59
    isobutanol 6.42
    1,4-dioxane 39.91
    methyl acetate 22.22
    THF 92.44
    2-butanone 25.77
    n-pentanol 5.78
    sec-butanol 4.73
    n-hexane 0.12
    ethylene glycol 7.49
    NMP 90.21
    cyclohexane 0.22
    DMSO 139.13
    n-butyl acetate 7.54
    n-octanol 1.61
    chloroform 57.8
    n-propyl acetate 9.31
    acetic acid 90.77
    dichloromethane 45.1
    cyclohexanone 31.92
    propylene glycol 6.67
    isopropyl acetate 7.24
    DMAc 95.74
    2-ethoxyethanol 27.81
    isopentanol 4.5
    n-heptane 0.08
    ethyl formate 16.28
    1,2-dichloroethane 22.23
    n-hexanol 4.03
    2-methoxyethanol 52.87
    isobutyl acetate 4.9
    tetrachloromethane 4.5
    n-pentyl acetate 6.07
    transcutol 17.41
    n-heptanol 2.76
    ethylbenzene 1.08
    MIBK 6.21
    2-propoxyethanol 31.77
    tert-butanol 6.0
    MTBE 2.55
    2-butoxyethanol 15.01
    propionic acid 21.39
    o-xylene 1.57
    formic acid 41.85
    diethyl ether 6.18
    m-xylene 1.38
    p-xylene 1.66
    chlorobenzene 5.93
    dimethyl carbonate 22.37
    n-octane 0.05
    formamide 53.43
    cyclopentanone 60.27
    2-pentanone 13.86
    anisole 5.44
    cyclopentyl methyl ether 9.52
    gamma-butyrolactone 80.66
    1-methoxy-2-propanol 30.13
    pyridine 29.98
    3-pentanone 11.9
    furfural 46.43
    n-dodecane 0.04
    diethylene glycol 29.64
    diisopropyl ether 0.9
    tert-amyl alcohol 3.56
    acetylacetone 21.14
    n-hexadecane 0.05
    acetophenone 8.53
    methyl propionate 18.21
    isopentyl acetate 5.77
    trichloroethylene 58.27
    n-nonanol 1.92
    cyclohexanol 4.49
    benzyl alcohol 8.09
    2-ethylhexanol 1.82
    isooctanol 2.11
    dipropyl ether 2.89
    1,2-dichlorobenzene 5.89
    ethyl lactate 8.5
    propylene carbonate 25.91
    n-methylformamide 57.09
    2-pentanol 2.56
    n-pentane 0.12
    1-propoxy-2-propanol 13.6
    1-methoxy-2-propyl acetate 12.68
    2-(2-methoxypropoxy) propanol 10.58
    mesitylene 0.73
    ε-caprolactone 27.24
    p-cymene 0.8
    epichlorohydrin 80.43
    1,1,1-trichloroethane 14.61
    2-aminoethanol 13.44
    morpholine-4-carbaldehyde 78.68
    sulfolane 96.92
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 18.35
    n-hexyl acetate 5.72
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 12.34
    sec-butyl acetate 4.22
    tert-butyl acetate 5.82
    decalin 0.13
    glycerin 17.03
    diglyme 26.9
    acrylic acid 29.48
    isopropyl myristate 1.87
    n-butyric acid 22.0
    acetyl acetate 15.27
    di(2-ethylhexyl) phthalate 4.74
    ethyl propionate 7.71
    nitromethane 135.53
    1,2-diethoxyethane 5.83
    benzonitrile 8.94
    trioctyl phosphate 2.84
    1-bromopropane 6.07
    gamma-valerolactone 94.16
    n-decanol 1.19
    triethyl phosphate 4.42
    4-methyl-2-pentanol 1.53
    propionitrile 14.39
    vinylene carbonate 29.63
    1,1,2-trichlorotrifluoroethane 61.29
    DMS 9.61
    cumene 0.78
    2-octanol 1.18
    2-hexanone 9.98
    octyl acetate 3.14
    limonene 1.03
    1,2-dimethoxyethane 37.87
    ethyl orthosilicate 3.68
    tributyl phosphate 2.78
    diacetone alcohol 11.74
    N,N-dimethylaniline 3.68
    acrylonitrile 25.85
    aniline 7.3
    1,3-propanediol 21.17
    bromobenzene 4.96
    dibromomethane 20.88
    1,1,2,2-tetrachloroethane 38.28
    2-methyl-cyclohexyl acetate 5.75
    tetrabutyl urea 4.71
    diisobutyl methanol 0.92
    2-phenylethanol 7.89
    styrene 1.52
    dioctyl adipate 4.92
    dimethyl sulfate 40.94
    ethyl butyrate 5.79
    methyl lactate 19.41
    butyl lactate 6.77
    diethyl carbonate 5.19
    propanediol butyl ether 8.59
    triethyl orthoformate 4.91
    p-tert-butyltoluene 0.68
    methyl 4-tert-butylbenzoate 8.8
    morpholine 46.06
    tert-butylamine 1.62
    n-dodecanol 0.75
    dimethoxymethane 51.43
    ethylene carbonate 23.86
    cyrene 21.24
    2-ethoxyethyl acetate 12.48
    2-ethylhexyl acetate 4.32
    1,2,4-trichlorobenzene 9.48
    4-methylpyridine 17.78
    dibutyl ether 1.33
    2,6-dimethyl-4-heptanol 0.92
    DEF 18.52
    dimethyl isosorbide 20.39
    tetrachloroethylene 23.43
    eugenol 10.35
    triacetin 10.15
    span 80 8.72
    1,4-butanediol 8.33
    1,1-dichloroethane 16.7
    2-methyl-1-pentanol 3.66
    methyl formate 46.36
    2-methyl-1-butanol 4.22
    n-decane 0.09
    butyronitrile 9.3
    3,7-dimethyl-1-octanol 1.34
    1-chlorooctane 0.68
    1-chlorotetradecane 0.24
    n-nonane 0.07
    undecane 0.06
    tert-butylcyclohexane 0.09
    cyclooctane 0.06
    cyclopentanol 10.51
    tetrahydropyran 15.49
    tert-amyl methyl ether 2.18
    2,5,8-trioxanonane 17.95
    1-hexene 0.66
    2-isopropoxyethanol 13.02
    2,2,2-trifluoroethanol 29.63
    methyl butyrate 10.77

    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