ChemSpider 2D Image | (3beta,4alpha,5alpha,17xi)-4-Methylergosta-8,14,24(28)-trien-3-ol | C29H46O

(3β,4α,5α,17ξ)-4-Methylergosta-8,14,24(28)-trien-3-ol

  • Molecular FormulaC29H46O
  • Average mass410.675 Da
  • Monoisotopic mass410.354858 Da
  • ChemSpider ID58829791

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3β,4α,5α,17ξ)-4-Methylergosta-8,14,24(28)-trien-3-ol [German] [ACD/IUPAC Name]
(3β,4α,5α,17ξ)-4-Methylergosta-8,14,24(28)-trien-3-ol [ACD/IUPAC Name]
(3β,4α,5α,17ξ)-4-Méthylergosta-8,14,24(28)-trién-3-ol [French] [ACD/IUPAC Name]
Ergosta-8,14,24(28)-trien-3-ol, 4-methyl-, (3β,4α,5α,17ξ)- [ACD/Index Name]
4&α;-methyl-5&amp;α;-ergosta-8,14,24(24<sup>1&lt;/sup>)-trien-3&β;-ol
4&α;-methyl-5&amp;α;-ergosta-8,14,24(28)-trien-3&β;-ol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 515.3±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.6±6.0 kJ/mol
Flash Point: 222.7±22.1 °C
Index of Refraction: 1.536
Molar Refractivity: 128.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.87
ACD/LogD (pH 5.5): 8.92
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1697581.88
ACD/LogD (pH 7.4): 8.92
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1697581.88
Polar Surface Area: 20 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 37.9±5.0 dyne/cm
Molar Volume: 411.3±5.0 cm3

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