ChemSpider 2D Image | (3beta,7beta,12alpha)-Gorgosta-5,9(11)-diene-3,7,12-triol | C30H48O3

(3β,7β,12α)-Gorgosta-5,9(11)-diene-3,7,12-triol

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID35516809

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,7β,12α)-Gorgosta-5,9(11)-dien-3,7,12-triol [German] [ACD/IUPAC Name]
(3β,7β,12α)-Gorgosta-5,9(11)-diene-3,7,12-triol [ACD/IUPAC Name]
(3β,7β,12α)-Gorgosta-5,9(11)-diène-3,7,12-triol [French] [ACD/IUPAC Name]
Pregna-5,9(11)-diene-3,7,12-triol, 20-[(1R,2R)-2-[(1R)-1,2-dimethylpropyl]-2-methylcyclopropyl]-, (3β,7β,12α,20R)- [ACD/Index Name]
Gorgost-5,9(11)-dien-3β,7β,12α-triol
Klyflaccisteroid E

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

Density: 1.1±0.1 g/cm3
Boiling Point: 587.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.7±6.0 kJ/mol
Flash Point: 243.9±24.7 °C
Index of Refraction: 1.568
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 30562.00
ACD/KOC (pH 5.5): 56503.79
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30561.97
ACD/KOC (pH 7.4): 56503.73
Polar Surface Area: 61 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 411.0±5.0 cm3

Click to predict properties on the Chemicalize site


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