ChemSpider 2D Image | (3bS,9bS)-6-Hydroxy-7-isopropyl-9b-methyl-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3H)-one | C20H24O3

(3bS,9bS)-6-Hydroxy-7-isopropyl-9b-methyl-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3H)-one

  • Molecular FormulaC20H24O3
  • Average mass312.403 Da
  • Monoisotopic mass312.172546 Da
  • ChemSpider ID114642807

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3bS,9bS)-6-Hydroxy-7-isopropyl-9b-methyl-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3H)-on [German] [ACD/IUPAC Name]
(3bS,9bS)-6-Hydroxy-7-isopropyl-9b-methyl-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3H)-one [ACD/IUPAC Name]
(3bS,9bS)-6-Hydroxy-7-isopropyl-9b-méthyl-3b,4,5,9b,10,11-hexahydrophénanthro[1,2-c]furan-1(3H)-one [French] [ACD/IUPAC Name]
Phenanthro[1,2-c]furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-, (3bS,9bS)- [ACD/Index Name]
74285-86-2 [RN]
Phenanthro[1,2-c]furan-1(3H)-one,3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-,(3bR,9bS)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 490.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 202.4±21.5 °C
Index of Refraction: 1.603
Molar Refractivity: 88.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1003.51
ACD/KOC (pH 5.5): 4898.78
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1002.92
ACD/KOC (pH 7.4): 4895.92
Polar Surface Area: 47 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 256.8±5.0 cm3

Click to predict properties on the Chemicalize site


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