ChemSpider 2D Image | ergosteryl oleate | C46H76O2

ergosteryl oleate

  • Molecular FormulaC46H76O2
  • Average mass661.094 Da
  • Monoisotopic mass660.584534 Da
  • ChemSpider ID23107000
  • 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,22E)-Ergosta-5,7,22-trien-3-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(3β,22E)-Ergosta-5,7,22-trien-3-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (3β,22E)-ergosta-5,7,22-trién-3-yle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (3β,22E)-ergosta-5,7,22-trien-3-yl ester, (9Z)- [ACD/Index Name]
ergosteryl oleate
(1S,2R,5S,11R,14R,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadeca-7,9-dien-5-yl (9Z)-octadec-9-enoate
(3β,22E)-ergosta-5,7,22-trien-3-yl (9Z)-octadec-9-enoate
22E-ergosta-5,7,22-trien-3&β;-yl (9Z)-octadec-9-enoate
22E-ergosta-5,7,22-trien-3β-yl (9Z)-octadec-9-enoate

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: 690.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 372.5±19.0 °C
Index of Refraction: 1.521
Molar Refractivity: 207.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 18.14
ACD/LogD (pH 5.5): 16.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.27
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: 38.8±5.0 dyne/cm
Molar Volume: 682.1±5.0 cm3

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