ChemSpider 2D Image | (1S,4aS,10aR)-1-Hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,4a,10,10a-hexahydro-9(1H)-phenanthrenone | C19H26O2

(1S,4aS,10aR)-1-Hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,4a,10,10a-hexahydro-9(1H)-phenanthrenone

  • Molecular FormulaC19H26O2
  • Average mass286.409 Da
  • Monoisotopic mass286.193268 Da
  • ChemSpider ID28425476

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,4aS,10aR)-1-Hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,4a,10,10a-hexahydro-9(1H)-phenanthrenon [German] [ACD/IUPAC Name]
(1S,4aS,10aR)-1-Hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,4a,10,10a-hexahydro-9(1H)-phenanthrenone [ACD/IUPAC Name]
(1S,4aS,10aR)-1-Hydroxy-7-isopropyl-1,4a-diméthyl-2,3,4,4a,10,10a-hexahydro-9(1H)-phénanthrénone [French] [ACD/IUPAC Name]
9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-1-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1S,4aS,10aR)- [ACD/Index Name]
[57906-31-7] [RN]
19-Nor-4-hydroxyabieta-8,11,13-trien-7-one
57906-31-7 [RN]
MFCD20261018

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

Density: 1.1±0.1 g/cm3
Boiling Point: 424.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 181.3±21.3 °C
Index of Refraction: 1.552
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2805.12
ACD/KOC (pH 5.5): 10224.42
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2805.12
ACD/KOC (pH 7.4): 10224.42
Polar Surface Area: 37 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 265.0±3.0 cm3

Click to predict properties on the Chemicalize site


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