ChemSpider 2D Image | (1S,4S,8R,9R,12S,13S,16R)-9-Hydroxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~8,12~]nonadecane-2,18-dione | C20H26O5

(1S,4S,8R,9R,12S,13S,16R)-9-Hydroxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione

  • Molecular FormulaC20H26O5
  • Average mass346.417 Da
  • Monoisotopic mass346.178009 Da
  • ChemSpider ID64849703

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1S,4S,8R,9R,12S,13S,16R)-9-Hydroxy-7,7-dimethyl-17-methylen-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-2,18-dion [German] [ACD/IUPAC Name]
(1S,4S,8R,9R,12S,13S,16R)-9-Hydroxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione [ACD/IUPAC Name]
(1S,4S,8R,9R,12S,13S,16R)-9-Hydroxy-7,7-diméthyl-17-méthylène-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadécane-2,18-dione [French] [ACD/IUPAC Name]
5H-5a,8-Methano-11H-cyclohepta[c]furo[3,4-e][1]benzopyran-5,6(7H)-dione, decahydro-13-hydroxy-1,1-dimethyl-7-methylene-, (3aS,5aS,8R,10aS,10bS,13R,13aR)- [ACD/Index Name]
(-)-Isodocarpin
10391-08-9 [RN]
isodocarpin
MFCD28987449

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 568.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 98.0±6.0 kJ/mol
    Flash Point: 205.0±23.6 °C
    Index of Refraction: 1.584
    Molar Refractivity: 89.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.94
    ACD/LogD (pH 5.5): 1.55
    ACD/BCF (pH 5.5): 8.95
    ACD/KOC (pH 5.5): 167.13
    ACD/LogD (pH 7.4): 1.55
    ACD/BCF (pH 7.4): 8.95
    ACD/KOC (pH 7.4): 167.13
    Polar Surface Area: 73 Å2
    Polarizability: 35.3±0.5 10-24cm3
    Surface Tension: 52.1±5.0 dyne/cm
    Molar Volume: 266.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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