ChemSpider 2D Image | 9a,11b-Dimethyl-9-[5-(2-methylcyclopropyl)-2-hexanyl]hexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol | C29H48O2

9a,11b-Dimethyl-9-[5-(2-methylcyclopropyl)-2-hexanyl]hexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol

  • Molecular FormulaC29H48O2
  • Average mass428.690 Da
  • Monoisotopic mass428.365417 Da
  • ChemSpider ID24625483

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

9a,11b-Dimethyl-9-[5-(2-methylcyclopropyl)-2-hexanyl]hexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol [ACD/IUPAC Name]
9a,11b-Dimethyl-9-[5-(2-methylcyclopropyl)-2-hexanyl]hexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol [German] [ACD/IUPAC Name]
9a,11b-Diméthyl-9-[5-(2-méthylcyclopropyl)-2-hexanyl]hexadécahydrocyclopenta[1,2]phénanthro[8a,9-b]oxirén-3-ol [French] [ACD/IUPAC Name]
(25R)-5α,6α-epoxy-24R,26R-dimethyl-26,27-cyclo-cholestan-3β-ol
5,6α-epoxy-petrosterol
5a,6a-epoxy-petrosterol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 522.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 213.8±16.9 °C
Index of Refraction: 1.547
Molar Refractivity: 127.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 7.49
ACD/BCF (pH 5.5): 289450.03
ACD/KOC (pH 5.5): 282467.34
ACD/LogD (pH 7.4): 7.49
ACD/BCF (pH 7.4): 289450.03
ACD/KOC (pH 7.4): 282467.34
Polar Surface Area: 33 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 401.2±5.0 cm3

Click to predict properties on the Chemicalize site


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