ChemSpider 2D Image | (8R,9S,10R,13S,14R,17S)-17-Allyl-13-methyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol (non-preferred name) | C21H32O

(8R,9S,10R,13S,14R,17S)-17-Allyl-13-methyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol (non-preferred name)

  • Molecular FormulaC21H32O
  • Average mass300.478 Da
  • Monoisotopic mass300.245331 Da
  • ChemSpider ID114814296

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8R,9S,10R,13S,14R,17S)-17-Allyl-13-methyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol (non-preferred name) [German] [ACD/IUPAC Name]
(8R,9S,10R,13S,14R,17S)-17-Allyl-13-methyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol (non-preferred name) [ACD/IUPAC Name]
(8R,9S,10R,13S,14R,17S)-17-Allyl-13-méthyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-17-ol (non-preferred name) [French] [ACD/IUPAC Name]
Estr-4-en-17-ol, 17-(2-propen-1-yl)-, (14β,17α)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 405.4±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.9±6.0 kJ/mol
Flash Point: 170.6±20.7 °C
Index of Refraction: 1.553
Molar Refractivity: 92.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 19346.38
ACD/KOC (pH 5.5): 40731.87
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 19346.38
ACD/KOC (pH 7.4): 40731.87
Polar Surface Area: 20 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 287.8±5.0 cm3

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