ChemSpider 2D Image | (3beta,6beta,9beta)-3-Hydroxy-3,20:6,18-diepoxypimara-7,15-dien-18-one | C20H26O4

(3β,6β,9β)-3-Hydroxy-3,20:6,18-diepoxypimara-7,15-dien-18-one

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID31145537

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,6β,9β)-3-Hydroxy-3,20:6,18-diepoxypimara-7,15-dien-18-on [German] [ACD/IUPAC Name]
(3β,6β,9β)-3-Hydroxy-3,20:6,18-diepoxypimara-7,15-dien-18-one [ACD/IUPAC Name]
(3β,6β,9β)-3-Hydroxy-3,20:6,18-diépoxypimara-7,15-dién-18-one [French] [ACD/IUPAC Name]
4H-3,10b-Ethano-1H,3H-benzo[h]furo[4,3,2-de]-2-benzopyran-4-one, 8-ethenyl-3a,5a,7,8,9,10,10a,10c-octahydro-3-hydroxy-3a,8-dimethyl-, (3R,3aR,5aR,8R,10aR,10bS,10cR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 504.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.1±6.0 kJ/mol
Flash Point: 180.1±23.6 °C
Index of Refraction: 1.595
Molar Refractivity: 89.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 174.50
ACD/KOC (pH 5.5): 1400.49
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.50
ACD/KOC (pH 7.4): 1400.48
Polar Surface Area: 56 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 262.1±5.0 cm3

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