ChemSpider 2D Image | (2R,4aS,4bR,6aR,7aR,8aR,8bR,8cS,10aS)-2,10a-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one | C20H28O3

(2R,4aS,4bR,6aR,7aR,8aR,8bR,8cS,10aS)-2,10a-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID78076607

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,4aS,4bR,6aR,7aR,8aR,8bR,8cS,10aS)-2,10a-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-on [German] [ACD/IUPAC Name]
(2R,4aS,4bR,6aR,7aR,8aR,8bR,8cS,10aS)-2,10a-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one [ACD/IUPAC Name]
(2R,4aS,4bR,6aR,7aR,8aR,8bR,8cS,10aS)-2,10a-Dihydroxy-4a,6a-diméthyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tétradécahydrocyclopropa[4,5]cyclopenta[1,2-a]phénanthrén-7(1H)-one [French] [ACD/IUPAC Name]
Cyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one, 2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydro-2,10a-dihydroxy-4a,6a-dimethyl-, (2R,4aS,4bR,6aR,7aR,8aR,8bR,8cS,10aS)- [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: 467.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 250.5±25.2 °C
Index of Refraction: 1.611
Molar Refractivity: 87.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.63
ACD/KOC (pH 5.5): 354.77
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.63
ACD/KOC (pH 7.4): 354.77
Polar Surface Area: 58 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 251.4±3.0 cm3

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