ChemSpider 2D Image | 3-dehydro-4alpha-methylzymosterol | C28H44O

3-dehydro-4α-methylzymosterol

  • Molecular FormulaC28H44O
  • Average mass396.648 Da
  • Monoisotopic mass396.339203 Da
  • ChemSpider ID20059529

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4α,5α)-4-Methylcholesta-8,24-dien-3-on [German] [ACD/IUPAC Name]
(4α,5α)-4-Methylcholesta-8,24-dien-3-one [ACD/IUPAC Name]
(4α,5α)-4-Méthylcholesta-8,24-dién-3-one [French] [ACD/IUPAC Name]
3-dehydro-4α-methylzymosterol
4a-Methyl-5a-cholesta-8,24-dien-3-one
4α-methyl-5α-cholesta-8,24-dien-3-one
7377-73-3 [RN]
Cholesta-8,24-dien-3-one, 4-methyl-, (4α,5α)- [ACD/Index Name]
(2S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-1(10)-en-5-one
(2S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-1(10)-en-5-one
More...

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

  • Miscellaneous

    • Chemical Class:

      A 3-dehydro-4-methylzymosterol in which the methyl substituent at position 4 has <stereo>alpha</stereo> configuration. It is an intermediate in the biosynthesis of cholesterol. ChEBI CHEBI:136486
      A 3-dehydro-4-methylzymosterol in which the methyl substituent at position 4 has alpha configuration. It is an intermediate in the biosynthesis of cholesterol. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:136486, CHEBI:136486

    • Compound Source:

      cholesterol biosynthesis I PlantCyc CPD-4578
      Linum usitatissimum PlantCyc CPD-4578

    • Bio Activity:

      4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol + NAD(P)+ -> 3-dehydro-4-methylzymosterol + CO2 + NAD(P)H PlantCyc CPD-4578
      4alpha-methyl-zymosterol + NADP+ <- 3-dehydro-4-methylzymosterol + NADPH + H+ PlantCyc CPD-4578

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

Density: 1.0±0.1 g/cm3
Boiling Point: 488.1±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 204.7±23.4 °C
Index of Refraction: 1.527
Molar Refractivity: 122.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 9.57
ACD/LogD (pH 5.5): 8.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 792896.75
ACD/LogD (pH 7.4): 8.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 792896.75
Polar Surface Area: 17 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 398.9±5.0 cm3

Click to predict properties on the Chemicalize site


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