ChemSpider 2D Image | 9xi-episterol | C28H46O

9ξ-episterol

  • Molecular FormulaC28H46O
  • Average mass398.664 Da
  • Monoisotopic mass398.354858 Da
  • ChemSpider ID21865764
  • defined stereocentres - 7 of 8 defined stereocentres


More details:






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

(3β,5α,9ξ)-Ergosta-7,24(28)-dien-3-ol [ACD/IUPAC Name]
(3β,5α,9ξ)-Ergosta-7,24(28)-dien-3-ol [German] [ACD/IUPAC Name]
(3β,5α,9ξ)-Ergosta-7,24(28)-dién-3-ol [French] [ACD/IUPAC Name]
9ξ-episterol
Ergosta-7,24(28)-dien-3-ol, (3β,5α,9ξ)- [ACD/Index Name]
(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-ol
474-68-0 [RN]
5α,9ξ-ergosta-7,24(28)-dien-3β-ol
episterol [Wiki]
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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: 489.1±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.0±6.0 kJ/mol
Flash Point: 213.5±20.7 °C
Index of Refraction: 1.529
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.81
ACD/LogD (pH 5.5): 8.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 895517.44
ACD/LogD (pH 7.4): 8.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 895517.44
Polar Surface Area: 20 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 37.8±5.0 dyne/cm
Molar Volume: 402.7±5.0 cm3

Click to predict properties on the Chemicalize site






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