ChemSpider 2D Image | Cholesteryl oleate | C45H78O2

Cholesteryl oleate

  • Molecular FormulaC45H78O2
  • Average mass651.100 Da
  • Monoisotopic mass650.600159 Da
  • ChemSpider ID4446726

  • 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

(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (9Z)-octadec-9-enoate
(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methyl-2-heptanyl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (9Z)-9-octadecenoate
(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methyl-2-heptanyl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl-(9Z)-9-octadecenoat
(3β)-Cholest-5-en-3-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl (9Z)-octadec-9-enoate
(3β)-Cholest-5-en-3-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (3S,8S,9S,10R,13R,14S,17R)-10,13-diméthyl-17-[(2R)-6-méthyl-2-heptanyl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-3-yle
(9Z)-9-Octadécénoate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
206-142-1 [EINECS]
2343071 [Beilstein]
More...

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

3DPK9KFN2M [DBID]
C14641 [DBID]
C9253_SIGMA [DBID]
LMST01020003 [DBID]
UNII:3DPK9KFN2M [DBID]
UNII-3DPK9KFN2M [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 675.4±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.9±16.0 °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): 16.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.61
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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