ChemSpider 2D Image | corallolide B | C20H24O6

corallolide B

  • Molecular FormulaC20H24O6
  • Average mass360.401 Da
  • Monoisotopic mass360.157288 Da
  • ChemSpider ID27024319

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,8S,10R,11R,12R)-10,12-Dihydroxy-8-isopropenyl-11,14-dimethyl-3-oxatricyclo[10.2.1.12,5]hexadeca-1(14),5(16)-dien-4,9,15-trion [German] [ACD/IUPAC Name]
(2R,8S,10R,11R,12R)-10,12-Dihydroxy-8-isopropenyl-11,14-dimethyl-3-oxatricyclo[10.2.1.12,5]hexadeca-1(14),5(16)-diene-4,9,15-trione [ACD/IUPAC Name]
(2R,8S,10R,11R,12R)-10,12-Dihydroxy-8-isopropényl-11,14-diméthyl-3-oxatricyclo[10.2.1.12,5]hexadéca-1(14),5(16)-diène-4,9,15-trione [French] [ACD/IUPAC Name]
3-Oxatricyclo[10.2.1.12,5]hexadeca-5(16),14-diene-4,9,15-trione, 10,12-dihydroxy-11,14-dimethyl-8-(1-methylethenyl)-, (2R,8S,10R,11R,12R)- [ACD/Index Name]
corallolide B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 637.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±6.0 kJ/mol
Flash Point: 228.7±25.0 °C
Index of Refraction: 1.581
Molar Refractivity: 92.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.15
ACD/KOC (pH 5.5): 79.08
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.15
ACD/KOC (pH 7.4): 79.08
Polar Surface Area: 101 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 276.9±5.0 cm3

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