ChemSpider 2D Image | (1R,2S,9S,10R,13Z)-2,10-Dihydroxy-2-isopropenyl-9,13-dimethyl-16-oxatricyclo[7.5.2.0~5,15~]hexadeca-5(15),13-dien-6-one | C20H28O4

(1R,2S,9S,10R,13Z)-2,10-Dihydroxy-2-isopropenyl-9,13-dimethyl-16-oxatricyclo[7.5.2.05,15]hexadeca-5(15),13-dien-6-one

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID44210882

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,9S,10R,13Z)-2,10-Dihydroxy-2-isopropenyl-9,13-dimethyl-16-oxatricyclo[7.5.2.05,15]hexadeca-5(15),13-dien-6-on [German] [ACD/IUPAC Name]
(1R,2S,9S,10R,13Z)-2,10-Dihydroxy-2-isopropenyl-9,13-dimethyl-16-oxatricyclo[7.5.2.05,15]hexadeca-5(15),13-dien-6-one [ACD/IUPAC Name]
(1R,2S,9S,10R,13Z)-2,10-Dihydroxy-2-isopropényl-9,13-diméthyl-16-oxatricyclo[7.5.2.05,15]hexadéca-5(15),13-dién-6-one [French] [ACD/IUPAC Name]
2,11-Propano-1-benzoxonin-12-one, 2,3,4,5,7a,8,9,10-octahydro-3,8-dihydroxy-2,6-dimethyl-8-(1-methylethenyl)-, (2S,3R,6Z,7aR,8S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 508.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.7±6.0 kJ/mol
Flash Point: 178.0±23.6 °C
Index of Refraction: 1.566
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 180.06
ACD/KOC (pH 5.5): 1432.30
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 180.06
ACD/KOC (pH 7.4): 1432.30
Polar Surface Area: 67 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 282.4±5.0 cm3

Click to predict properties on the Chemicalize site


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