ChemSpider 2D Image | (7alpha)-7,13,18-Trihydroxyabiet-8-en-11-one | C20H32O4

(7α)-7,13,18-Trihydroxyabiet-8-en-11-one

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID29416420

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(7α)-7,13,18-Trihydroxyabiet-8-en-11-on [German] [ACD/IUPAC Name]
(7α)-7,13,18-Trihydroxyabiet-8-en-11-one [ACD/IUPAC Name]
(7α)-7,13,18-Trihydroxyabiét-8-én-11-one [French] [ACD/IUPAC Name]
4(1H)-Phenanthrenone, 2,3,4b,5,6,7,8,8a,9,10-decahydro-2,10-dihydroxy-8-(hydroxymethyl)-4b,8-dimethyl-2-(1-methylethyl)-, (2S,4bS,8R,8aR,10R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 510.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 276.9±26.6 °C
Index of Refraction: 1.560
Molar Refractivity: 92.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 53.21
ACD/KOC (pH 5.5): 598.50
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 53.21
ACD/KOC (pH 7.4): 598.50
Polar Surface Area: 78 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 286.4±5.0 cm3

Click to predict properties on the Chemicalize site


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