ChemSpider 2D Image | gymnemagenin | C30H50O6

gymnemagenin

  • Molecular FormulaC30H50O6
  • Average mass506.714 Da
  • Monoisotopic mass506.360748 Da
  • ChemSpider ID8227499

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R,4R,4AR,5S,6AS,6BR,8AR,9R,10S,12AR,12BR,14BS)-4A,9-BIS(HYDROXYMETHYL)-2,2,6A,6B,9,12A-HEXAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDROPICENE-3,4,5,10-TETROL
(3β,16β,21β,22α)-Olean-12-en-3,16,21,22,23,28-hexol [German] [ACD/IUPAC Name]
(3β,16β,21β,22α)-Olean-12-ene-3,16,21,22,23,28-hexol [ACD/IUPAC Name]
(3β,16β,21β,22α)-Oléan-12-ène-3,16,21,22,23,28-hexol [French] [ACD/IUPAC Name]
22467-07-8 [RN]
gymnemagenin
MFCD06656306
Olean-12-ene-3,16,21,22,23,28-hexol, (3β,16β,21β,22α)- [ACD/Index Name]
Olean-12-ene-3β,16β,21β,22α,23,28-hexol
(3R,4R,4aR,5S,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

U396WHT2FZ [DBID]
UNII:U396WHT2FZ [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 634.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.2 mmHg at 25°C
    Enthalpy of Vaporization: 107.5±6.0 kJ/mol
    Flash Point: 262.0±26.1 °C
    Index of Refraction: 1.598
    Molar Refractivity: 139.5±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 6
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 2
    ACD/LogP: 3.98
    ACD/LogD (pH 5.5): 4.06
    ACD/BCF (pH 5.5): 717.46
    ACD/KOC (pH 5.5): 3852.86
    ACD/LogD (pH 7.4): 4.06
    ACD/BCF (pH 7.4): 717.46
    ACD/KOC (pH 7.4): 3852.86
    Polar Surface Area: 121 Å2
    Polarizability: 55.3±0.5 10-24cm3
    Surface Tension: 59.1±5.0 dyne/cm
    Molar Volume: 408.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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