ChemSpider 2D Image | (3beta,5alpha)-Ergosta-7,24(28)-dien-3-yl (9Z)-9-hexadecenoate | C44H74O2

(3β,5α)-Ergosta-7,24(28)-dien-3-yl (9Z)-9-hexadecenoate

  • Molecular FormulaC44H74O2
  • Average mass635.057 Da
  • Monoisotopic mass634.568909 Da
  • ChemSpider ID23106999

  • 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-hexadecenoate [ACD/IUPAC Name]
(3β,5α)-Ergosta-7,24(28)-dien-3-yl-(9Z)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Hexadécénoate de (3β,5α)-ergosta-7,24(28)-dién-3-yle [French] [ACD/IUPAC Name]
9-Hexadecenoic acid, (3β,5α)-ergosta-7,24(28)-dien-3-yl ester, (9Z)- [ACD/Index Name]
(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)-hexadec-9-enoate
(3β,5α)-ergosta-7,24(28)-dien-3-yl (9Z)-hexadec-9-enoate
18:1(9Z) Cholesterol ester
1-Oleoyl-cholesterol
5α-ergosta-7,24(28)-dien-3β-yl (9Z)-hexadec-9-enoate
cholest-5-en-3b-yl
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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, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 663.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 355.1±19.0 °C
Index of Refraction: 1.515
Molar Refractivity: 198.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 17.66
ACD/LogD (pH 5.5): 15.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 78.7±0.5 10-24cm3
Surface Tension: 38.0±5.0 dyne/cm
Molar Volume: 658.7±5.0 cm3

Click to predict properties on the Chemicalize site


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