ChemSpider 2D Image | 4a-Formyl-5a-cholesta-8,24-dien-3b-ol | C28H44O2

4a-Formyl-5a-cholesta-8,24-dien-3b-ol

  • Molecular FormulaC28H44O2
  • Average mass412.648 Da
  • Monoisotopic mass412.334137 Da
  • ChemSpider ID20059531

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,4α,5α)-3-Hydroxycholesta-8,24-dien-4-carbaldehyd [German] [ACD/IUPAC Name]
(3β,4α,5α)-3-Hydroxycholesta-8,24-diene-4-carbaldehyde [ACD/IUPAC Name]
(3β,4α,5α)-3-Hydroxycholesta-8,24-diène-4-carbaldéhyde [French] [ACD/IUPAC Name]
4a-Formyl-5a-cholesta-8,24-dien-3b-ol
4α-formyl-5α-cholesta-8,24-dien-3β-ol
Cholesta-8,24-diene-4-carboxaldehyde, 3-hydroxy-, (3β,4α,5α)- [ACD/Index Name]
(1R,3aR,5aS,6S,7S,9aS,11aR)-7-hydroxy-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]phenanthrene-6-carbaldehyde
3β-hydroxy-5α-cholesta-8,24-diene-4α-carbaldehyde
4&α
4&α;-formyl-5&α;-cholesta-8,24-dien-3&β;-ol
More...

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

  • Miscellaneous

    • Chemical Class:

      A 4-formylzymosterol in which the formyl group at position 4 has alpha-configuration. ChEBI CHEBI:146131

    • Compound Source:

      cholesterol biosynthesis I PlantCyc CPD-4580
      Linum usitatissimum PlantCyc CPD-4580

    • Bio Activity:

      4alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol + 2 a ferrocytochrome b5 + oxygen + H+ -> 4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol + 2 a ferricytochrome b5 + H2O PlantCyc CPD-4580
      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-4580

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

Density: 1.0±0.1 g/cm3
Boiling Point: 517.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 218.9±22.7 °C
Index of Refraction: 1.539
Molar Refractivity: 124.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 7.70
ACD/BCF (pH 5.5): 421126.47
ACD/KOC (pH 5.5): 369425.47
ACD/LogD (pH 7.4): 7.70
ACD/BCF (pH 7.4): 421126.47
ACD/KOC (pH 7.4): 369425.47
Polar Surface Area: 37 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 397.0±5.0 cm3

Click to predict properties on the Chemicalize site


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