ChemSpider 2D Image | (3beta)-Cholest-5-en-3-yl (11Z)-11-octadecenoate | C45H78O2

(3β)-Cholest-5-en-3-yl (11Z)-11-octadecenoate

  • Molecular FormulaC45H78O2
  • Average mass651.100 Da
  • Monoisotopic mass650.600159 Da
  • ChemSpider ID58191508

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11Z)-11-Octadécénoate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl (11Z)-11-octadecenoate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
11-Octadecenoic acid, (3β)-cholest-5-en-3-yl ester, (11Z)- [ACD/Index Name]
(11Z)-octadec-11-enoyl-cholesterol
(11Z-octadecenoyl)-cholesterol
(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl (11Z)-octadec-11-enoate
(cis-vaccenoyl)-cholesterol
18:1(11Z) cholesterol ester
1-cis-vaccenoyl-cholesterol
More...
  • Miscellaneous

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

Density: 1.0±0.1 g/cm3
Boiling Point: 670.9±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 360.0±13.2 °C
Index of Refraction: 1.511
Molar Refractivity: 203.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 18.69
ACD/LogD (pH 5.5): 16.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 38.3±5.0 dyne/cm
Molar Volume: 679.6±5.0 cm3

Click to predict properties on the Chemicalize site


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