ChemSpider 2D Image | (8S,13S,14S,17S)-17-Allyl-17-hydroxy-13-methyl-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one | C21H26O2

(8S,13S,14S,17S)-17-Allyl-17-hydroxy-13-methyl-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one

  • Molecular FormulaC21H26O2
  • Average mass310.430 Da
  • Monoisotopic mass310.193268 Da
  • ChemSpider ID28424127

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(8S,13S,14S,17S)-17-Allyl-17-hydroxy-13-methyl-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-on [German] [ACD/IUPAC Name]
(8S,13S,14S,17S)-17-Allyl-17-hydroxy-13-methyl-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one [ACD/IUPAC Name]
(8S,13S,14S,17S)-17-Allyl-17-hydroxy-13-méthyl-1,2,6,7,8,13,14,15,16,17-décahydro-3H-cyclopenta[a]phénanthrén-3-one [French] [ACD/IUPAC Name]
Estra-4,9,11-trien-3-one, 17-hydroxy-17-(2-propen-1-yl)-, (17α)- [ACD/Index Name]
(1S,3aS,3bS,11aS)-1-hydroxy-11a-methyl-1-(prop-2-en-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,11aH-cyclopenta[a]phenanthren-7-one
(1S,3aS,3bS,11aS)-1-hydroxy-11a-methyl-1-(prop-2-en-1-yl)-2H,3H,3aH,3bH,4H,5H,8H,9H-cyclopenta[a]phenanthren-7-one
(8S,13S,14S,17S)-17-Allyl-17-hydroxy-13-methyl-6,7,8,13,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Altrenogest [USAN] [Wiki]
MFCD00867855 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 495.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.9±6.0 kJ/mol
Flash Point: 210.1±21.3 °C
Index of Refraction: 1.594
Molar Refractivity: 91.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 323.66
ACD/KOC (pH 5.5): 2179.35
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 323.66
ACD/KOC (pH 7.4): 2179.35
Polar Surface Area: 37 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 269.8±5.0 cm3

Click to predict properties on the Chemicalize site


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