Momorcharaside A

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  • Identifiers

    CAS number
    135126-59-9

    Molecular formula
    C42H72O15

    SMILES
    C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]3(C2CC=C4[C@@H]3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O)C)C)C)[C@@H]([C@H]([C@H](C(C)(C)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 49.7%
    Woody 47.95%
    Sweet 32.12%
    Amber 31.13%
    Dry 26.47%
    Cooling 26.43%
    Sandalwood 26.27%
    Balsamic 26.15%
    Musk 24.35%
    Mint 23.97%

     

    Flavor
    Bitter 46.05%
    Sweet 39.3%
    Odorless 37.6%
    Sweet-like 27.42%
    Fatty 23.33%
    Bland 23.23%
    Clary 20.93%
    Cedarleaf 20.87%
    Mentholic 20.77%
    Patchouli 20.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    5.49 (weak acid)

    Molecular weight
    817.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1573°C

    Flash point

    • 264.7 ˚C est.

  • Synonyms

    • Momorcharaside A
    • beta-D-Galactopyranoside, (3beta,9beta,10alpha,22S,23R,24R)-22,23,24,25-tetrahydroxy-9-methyl-19-norlanost-5-en-3-yl 6-O-beta-D-galactopyranosyl-
    • RefChem:159404
    • 135126-59-9
    • (3R,4R,5S,6S)-2-methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-2,3,4,5-tetrol
    • SCHEMBL30493170
    • CHEBI:187517
    • 135126-59-9

  • Applications

    Momorcharaside A (CAS 135126-59-9) is a natural product principally encountered in research on plant-based bioactives; it is commonly evaluated as an intermediate or reference compound in organic synthesis and pharmacognosy. In cosmetics and personal care, it may be used as a natural-origin ingredient in formulation studies, including as a fragrance/odorant component subject to regulatory limits. In the fragrance and flavor sectors, it may be explored as a candidate odor-active compound for development programs. In analytical chemistry, it serves as a reference material for method development and quality control of natural products. In agricultural and plant-science contexts, it is studied as a phytochemical marker or bioactive constituent relevant to Momordica charantia and related species.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.41
    methanol 15.19
    isopropanol 0.4
    water 0.09
    ethyl acetate 0.68
    n-propanol 0.68
    acetone 1.94
    n-butanol 0.29
    acetonitrile 0.59
    DMF 18.06
    toluene 0.17
    isobutanol 0.27
    1,4-dioxane 4.44
    methyl acetate 0.88
    THF 6.33
    2-butanone 0.93
    n-pentanol 0.27
    sec-butanol 0.22
    n-hexane 0.01
    ethylene glycol 2.94
    NMP 13.38
    cyclohexane 0.02
    DMSO 22.52
    n-butyl acetate 0.41
    n-octanol 0.56
    chloroform 1.42
    n-propyl acetate 0.41
    acetic acid 9.85
    dichloromethane 1.3
    cyclohexanone 1.3
    propylene glycol 1.72
    isopropyl acetate 0.48
    DMAc 13.15
    2-ethoxyethanol 4.65
    isopentanol 0.19
    n-heptane 0.02
    ethyl formate 1.02
    1,2-dichloroethane 0.6
    n-hexanol 0.27
    2-methoxyethanol 10.29
    isobutyl acetate 0.25
    tetrachloromethane 0.21
    n-pentyl acetate 1.06
    transcutol 10.79
    n-heptanol 0.64
    ethylbenzene 0.11
    MIBK 0.46
    2-propoxyethanol 5.21
    tert-butanol 0.29
    MTBE 0.24
    2-butoxyethanol 4.67
    propionic acid 1.2
    o-xylene 0.15
    formic acid 18.76
    diethyl ether 0.43
    m-xylene 0.16
    p-xylene 0.13
    chlorobenzene 0.22
    dimethyl carbonate 2.31
    n-octane 0.02
    formamide 12.44
    cyclopentanone 3.07
    2-pentanone 0.68
    anisole 0.59
    cyclopentyl methyl ether 0.9
    gamma-butyrolactone 4.59
    1-methoxy-2-propanol 4.61
    pyridine 1.83
    3-pentanone 0.57
    furfural 6.87
    n-dodecane 0.01
    diethylene glycol 7.61
    diisopropyl ether 0.1
    tert-amyl alcohol 0.22
    acetylacetone 2.48
    n-hexadecane 0.01
    acetophenone 0.88
    methyl propionate 1.14
    isopentyl acetate 0.39
    trichloroethylene 2.09
    n-nonanol 0.58
    cyclohexanol 0.2
    benzyl alcohol 0.74
    2-ethylhexanol 0.15
    isooctanol 0.41
    dipropyl ether 0.39
    1,2-dichlorobenzene 0.28
    ethyl lactate 0.98
    propylene carbonate 1.62
    n-methylformamide 7.9
    2-pentanol 0.13
    n-pentane 0.01
    1-propoxy-2-propanol 2.34
    1-methoxy-2-propyl acetate 2.02
    2-(2-methoxypropoxy) propanol 3.13
    mesitylene 0.09
    ε-caprolactone 1.58
    p-cymene 0.11
    epichlorohydrin 4.66
    1,1,1-trichloroethane 0.3
    2-aminoethanol 3.13
    morpholine-4-carbaldehyde 18.49
    sulfolane 11.57
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.89
    n-hexyl acetate 1.1
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.08
    sec-butyl acetate 0.23
    tert-butyl acetate 0.58
    decalin 0.01
    glycerin 7.2
    diglyme 10.84
    acrylic acid 2.75
    isopropyl myristate 0.25
    n-butyric acid 0.98
    acetyl acetate 1.0
    di(2-ethylhexyl) phthalate 0.61
    ethyl propionate 0.42
    nitromethane 13.67
    1,2-diethoxyethane 1.5
    benzonitrile 0.46
    trioctyl phosphate 0.4
    1-bromopropane 0.14
    gamma-valerolactone 13.27
    n-decanol 0.3
    triethyl phosphate 0.36
    4-methyl-2-pentanol 0.11
    propionitrile 0.34
    vinylene carbonate 2.25
    1,1,2-trichlorotrifluoroethane 11.5
    DMS 1.27
    cumene 0.08
    2-octanol 0.32
    2-hexanone 0.41
    octyl acetate 0.51
    limonene 0.12
    1,2-dimethoxyethane 5.33
    ethyl orthosilicate 0.35
    tributyl phosphate 0.3
    diacetone alcohol 1.56
    N,N-dimethylaniline 0.55
    acrylonitrile 0.91
    aniline 0.4
    1,3-propanediol 2.24
    bromobenzene 0.19
    dibromomethane 0.51
    1,1,2,2-tetrachloroethane 1.4
    2-methyl-cyclohexyl acetate 0.43
    tetrabutyl urea 0.6
    diisobutyl methanol 0.11
    2-phenylethanol 0.77
    styrene 0.11
    dioctyl adipate 0.62
    dimethyl sulfate 5.66
    ethyl butyrate 0.38
    methyl lactate 2.99
    butyl lactate 1.57
    diethyl carbonate 0.27
    propanediol butyl ether 4.89
    triethyl orthoformate 0.55
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 2.33
    morpholine 4.21
    tert-butylamine 0.09
    n-dodecanol 0.17
    dimethoxymethane 9.61
    ethylene carbonate 1.28
    cyrene 5.23
    2-ethoxyethyl acetate 3.13
    2-ethylhexyl acetate 0.28
    1,2,4-trichlorobenzene 0.45
    4-methylpyridine 0.85
    dibutyl ether 0.26
    2,6-dimethyl-4-heptanol 0.11
    DEF 1.62
    dimethyl isosorbide 5.47
    tetrachloroethylene 1.32
    eugenol 2.59
    triacetin 2.83
    span 80 2.82
    1,4-butanediol 0.96
    1,1-dichloroethane 0.28
    2-methyl-1-pentanol 0.17
    methyl formate 7.16
    2-methyl-1-butanol 0.19
    n-decane 0.03
    butyronitrile 0.23
    3,7-dimethyl-1-octanol 0.27
    1-chlorooctane 0.13
    1-chlorotetradecane 0.04
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.39
    tetrahydropyran 0.78
    tert-amyl methyl ether 0.23
    2,5,8-trioxanonane 6.45
    1-hexene 0.04
    2-isopropoxyethanol 2.03
    2,2,2-trifluoroethanol 4.43
    methyl butyrate 0.55

    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