ChemSpider 2D Image | (3beta,4alpha,5alpha,9xi,10xi)-4,14-Dimethyl-9,19-cyclocholest-24-en-3-ol | C29H48O

(3β,4α,5α,9ξ,10ξ)-4,14-Dimethyl-9,19-cyclocholest-24-en-3-ol

  • Molecular FormulaC29H48O
  • Average mass412.691 Da
  • Monoisotopic mass412.370514 Da
  • ChemSpider ID58837777

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3β,4α,5α,9ξ,10ξ)-4,14-Dimethyl-9,19-cyclocholest-24-en-3-ol [German] [ACD/IUPAC Name]
(3β,4α,5α,9ξ,10ξ)-4,14-Dimethyl-9,19-cyclocholest-24-en-3-ol [ACD/IUPAC Name]
(3β,4α,5α,9ξ,10ξ)-4,14-Diméthyl-9,19-cyclocholest-24-én-3-ol [French] [ACD/IUPAC Name]
9,19-Cyclocholest-24-en-3-ol, 4,14-dimethyl-, (3β,4α,5α,9ξ,10ξ)- [ACD/Index Name]
31-norcycloartenol
4&α;,14&α;-dimethyl-9&β;,19-cyclo-5&α;-cholest-24-en-3&β;-ol
  • Miscellaneous

    • Compound Source:

      Arabidopsis thaliana col PlantCyc CPD-12850
      Chlamydomonas reinhardtii PlantCyc CPD-12850
      Glycine max PlantCyc CPD-12850
      Linum usitatissimum PlantCyc CPD-12850
      Oryza sativa Japonica Group PlantCyc CPD-12850
      plant sterol biosynthesis II PlantCyc CPD-12850
      Zea mays subsp. mays PlantCyc CPD-12850

    • Bio Activity:

      4alpha,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol -> 4alpha,14alpha-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol PlantCyc CPD-12850
      4alpha,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol + 4alpha,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol -> 4alpha,14alpha-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol PlantCyc CPD-12850
      4alpha,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3-one + NADPH + H+ -> 4alpha,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol + NADP+ PlantCyc CPD-12850
      4alpha,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3-one + NADPH + NADPH + H+ + H+ -> 4alpha,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol + 4alpha,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol + NADP+ + NADP+ PlantCyc CPD-12850

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

Density: 1.0±0.1 g/cm3
Boiling Point: 500.9±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.6±6.0 kJ/mol
Flash Point: 218.2±13.7 °C
Index of Refraction: 1.541
Molar Refractivity: 127.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 10.18
ACD/LogD (pH 5.5): 9.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2248441.00
ACD/LogD (pH 7.4): 9.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2248441.00
Polar Surface Area: 20 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 405.1±5.0 cm3

Click to predict properties on the Chemicalize site


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