ChemSpider 2D Image | (3beta,4alpha)-4-Methylcholest-5-en-3-ol | C28H48O

(3β,4α)-4-Methylcholest-5-en-3-ol

  • Molecular FormulaC28H48O
  • Average mass400.680 Da
  • Monoisotopic mass400.370514 Da
  • ChemSpider ID66423831

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,4α)-4-Methylcholest-5-en-3-ol [German] [ACD/IUPAC Name]
(3β,4α)-4-Methylcholest-5-en-3-ol [ACD/IUPAC Name]
(3β,4α)-4-Méthylcholest-5-én-3-ol [French] [ACD/IUPAC Name]
Cholest-5-en-3-ol, 4-methyl-, (3β,4α)- [ACD/Index Name]
(3S,4S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
15073-00-4 [RN]
16727-47-2 [RN]
4??-Methylcholesterol
4|A-Methylcholesterol
4a-methylcholesterol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 488.6±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.0±6.0 kJ/mol
Flash Point: 214.1±12.4 °C
Index of Refraction: 1.522
Molar Refractivity: 124.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 10.34
ACD/LogD (pH 5.5): 9.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1924739.00
ACD/LogD (pH 7.4): 9.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1924739.00
Polar Surface Area: 20 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 37.6±5.0 dyne/cm
Molar Volume: 408.2±5.0 cm3

Click to predict properties on the Chemicalize site


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