ChemSpider 2D Image | 4alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol | C28H46O2

4α-hydroxymethyl-5α-cholesta-8,24-dien-3β-ol

  • Molecular FormulaC28H46O2
  • Average mass414.664 Da
  • Monoisotopic mass414.349792 Da
  • ChemSpider ID20059530

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,4α,5α)-4-(Hydroxymethyl)cholesta-8,24-dien-3-ol [ACD/IUPAC Name]
(3β,4α,5α)-4-(Hydroxymethyl)cholesta-8,24-dien-3-ol [German] [ACD/IUPAC Name]
(3β,4α,5α)-4-(Hydroxyméthyl)cholesta-8,24-dién-3-ol [French] [ACD/IUPAC Name]
4α-hydroxymethyl-5α-cholesta-8,24-dien-3β-ol
Cholesta-8,24-dien-3-ol, 4-(hydroxymethyl)-, (3β,4α,5α)- [ACD/Index Name]
(1R,3aR,5aS,6R,7S,9aS,11aR)-6-(hydroxymethyl)-9a,11a-dimethyl-1-[(2R)-6-methylhept-5-en-2-yl]-2,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
4&α
4&α;-hydroxymethyl-5&α;-cholesta-8,24-dien-3&β;-ol
4??-hydroxymethyl-5??-cholesta-8,24-dien-3??-ol
4α-(hydroxymethyl)-5α-cholesta-8,24-dien-3β-ol
More...

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

  • Miscellaneous

    • Chemical Class:

      A 4-hydroxymethylzymosterol in which the hydroxymethyl group at position 4 has alpha-configuration. ChEBI CHEBI:146130

    • Compound Source:

      cholesterol biosynthesis I PlantCyc CPD-4579
      Linum usitatissimum PlantCyc CPD-4579

    • Bio Activity:

      4alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol + 2 a ferrocytochrome b5 + oxygen + 2 H+ -> 4alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol + 2 a ferricytochrome b5 + 2 H2O PlantCyc CPD-4579
      4alpha-methyl-zymosterol + 2 a ferrocytochrome b5 + oxygen + 2 H+ -> 4alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol + 2 a ferricytochrome b5 + H2O PlantCyc CPD-4579

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

Density: 1.0±0.1 g/cm3
Boiling Point: 526.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.1±6.0 kJ/mol
Flash Point: 218.2±24.7 °C
Index of Refraction: 1.545
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.33
ACD/LogD (pH 5.5): 7.76
ACD/BCF (pH 5.5): 467437.47
ACD/KOC (pH 5.5): 398070.38
ACD/LogD (pH 7.4): 7.76
ACD/BCF (pH 7.4): 467437.47
ACD/KOC (pH 7.4): 398070.38
Polar Surface Area: 40 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 397.3±5.0 cm3

Click to predict properties on the Chemicalize site


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