ChemSpider 2D Image | (3E)-4-Hydroxy-3-{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]ethylidene}dihydro-2(3H)-furanone | C20H30O3

(3E)-4-Hydroxy-3-{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]ethylidene}dihydro-2(3H)-furanone

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID28424510

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3E)-4-Hydroxy-3-{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylendecahydro-1-naphthalinyl]ethyliden}dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3E)-4-Hydroxy-3-{2-[(1S,4aS,8aS)-5,5,8a-triméthyl-2-méthylènedécahydro-1-naphtalényl]éthylidène}dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
(3E)-4-Hydroxy-3-{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]ethylidene}dihydro-2(3H)-furanone [ACD/IUPAC Name]
2(3H)-Furanone, 3-[2-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E)- [ACD/Index Name]
[138965-88-5] [RN]
138965-88-5 [RN]
Isocoronarin D
MFCD20260766

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 468.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 84.2±6.0 kJ/mol
    Flash Point: 187.7±21.5 °C
    Index of Refraction: 1.535
    Molar Refractivity: 91.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 5.31
    ACD/LogD (pH 5.5): 4.76
    ACD/BCF (pH 5.5): 2423.50
    ACD/KOC (pH 5.5): 9208.33
    ACD/LogD (pH 7.4): 4.76
    ACD/BCF (pH 7.4): 2423.48
    ACD/KOC (pH 7.4): 9208.23
    Polar Surface Area: 47 Å2
    Polarizability: 36.1±0.5 10-24cm3
    Surface Tension: 41.1±5.0 dyne/cm
    Molar Volume: 292.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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