ChemSpider 2D Image | (3S,6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-isopropyl-heptan-1-ol | C29H52O

(3S,6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-isopropyl-heptan-1-ol

  • Molecular FormulaC29H52O
  • Average mass416.723 Da
  • Monoisotopic mass416.401825 Da
  • ChemSpider ID28294076

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

Stigmastan-29-ol [German] [ACD/Index Name] [ACD/IUPAC Name]
Stigmastan-29-ol [French] [ACD/Index Name] [ACD/IUPAC Name]
138126-65-5 [RN]
Stigmastan-29-ol [ACD/Index Name] [ACD/IUPAC Name]
Stigmastanol

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

Density: 0.9±0.1 g/cm3
Boiling Point: 477.2±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.4±6.0 kJ/mol
Flash Point: 221.1±10.0 °C
Index of Refraction: 1.500
Molar Refractivity: 129.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 11.14
ACD/LogD (pH 5.5): 9.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4725285.00
ACD/LogD (pH 7.4): 9.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4725285.00
Polar Surface Area: 20 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 440.1±3.0 cm3

Click to predict properties on the Chemicalize site


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