ChemSpider 2D Image | (3R,5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R,3E,5S)-5-methyl-3-hepten-2-yl]hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol | C27H46O

(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R,3E,5S)-5-methyl-3-hepten-2-yl]hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol

  • Molecular FormulaC27H46O
  • Average mass386.654 Da
  • Monoisotopic mass386.354858 Da
  • ChemSpider ID29215752

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R,3E,5S)-5-methyl-3-hepten-2-yl]hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol [ACD/IUPAC Name]
(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R,3E,5S)-5-methyl-3-hepten-2-yl]hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol [German] [ACD/IUPAC Name]
(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-Diméthyl-17-[(2R,3E,5S)-5-méthyl-3-heptén-2-yl]hexadécahydro-1H-cyclopenta[a]phénanthrén-3-ol [French] [ACD/IUPAC Name]
27-nor-24S-methyl-cholest-22-en-3a-ol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 470.9±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.6±6.0 kJ/mol
Flash Point: 206.5±12.4 °C
Index of Refraction: 1.514
Molar Refractivity: 120.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 9.70
ACD/LogD (pH 5.5): 7.99
ACD/BCF (pH 5.5): 697198.00
ACD/KOC (pH 5.5): 529961.81
ACD/LogD (pH 7.4): 7.99
ACD/BCF (pH 7.4): 697198.00
ACD/KOC (pH 7.4): 529961.81
Polar Surface Area: 20 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 399.8±3.0 cm3

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