ChemSpider 2D Image | episteryl oleate | C46H78O2

episteryl oleate

  • Molecular FormulaC46H78O2
  • Average mass663.110 Da
  • Monoisotopic mass662.600159 Da
  • ChemSpider ID23106998
  • 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

(3β,5α)-Ergosta-7,24(28)-dien-3-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(3β,5α)-Ergosta-7,24(28)-dien-3-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (3β,5α)-ergosta-7,24(28)-dién-3-yle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (3β,5α)-ergosta-7,24(28)-dien-3-yl ester, (9Z)- [ACD/Index Name]
episteryl oleate
(1R,2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-9-en-5-yl (9Z)-octadec-9-enoate
(3β,5α)-ergosta-7,24(28)-dien-3-yl (9Z)-octadec-9-enoate
18:1(9Z) Cholesterol ester
1-Oleoyl-cholesterol
3β-HYDROXY-5-CHOLESTENE 3-OLEATE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 683.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 367.6±19.0 °C
Index of Refraction: 1.513
Molar Refractivity: 207.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 18.72
ACD/LogD (pH 5.5): 16.66
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 82.4±0.5 10-24cm3
Surface Tension: 38.1±5.0 dyne/cm
Molar Volume: 690.7±5.0 cm3

Click to predict properties on the Chemicalize site






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