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ChemSpider 2D Image | 7a-Hydroxycholesterol | C27H46O2

7a-Hydroxycholesterol

  • Molecular FormulaC27H46O2
  • Average mass402.653 Da
  • Monoisotopic mass402.349792 Da
  • ChemSpider ID30776546
  • defined stereocentres - 8 of 9 defined stereocentres


More details:





Date of deprecation: 10:11, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(3β,7α,8α,14β)-Cholest-5-en-3,7-diol [German] [ACD/IUPAC Name]
(3β,7α,8α,14β)-Cholest-5-ene-3,7-diol [ACD/IUPAC Name]
(3β,7α,8α,14β)-Cholest-5-ène-3,7-diol [French] [ACD/IUPAC Name]
(3β,7α,8ξ,14β)-Cholest-5-en-3,7-diol [German] [ACD/IUPAC Name]
(3β,7α,8ξ,14β)-Cholest-5-ene-3,7-diol [ACD/IUPAC Name]
(3β,7α,8ξ,14β)-Cholest-5-ène-3,7-diol [French] [ACD/IUPAC Name]
7a-Hydroxycholesterol
Cholest-5-ene-3,7-diol, (3β,7α,8α,14β)- [ACD/Index Name]
Cholest-5-ene-3,7-diol, (3β,7α,8ξ,14β)- [ACD/Index Name]
(1S,2R,5S,9S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-7-ene-5,9-diol
More...

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 515.3±38.0 °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: 214.7±21.4 °C
Index of Refraction: 1.536
Molar Refractivity: 121.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 97504.28
ACD/KOC (pH 5.5): 129635.04
ACD/LogD (pH 7.4): 6.87
ACD/BCF (pH 7.4): 97504.28
ACD/KOC (pH 7.4): 129635.04
Polar Surface Area: 40 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 389.3±5.0 cm3

Click to predict properties on the Chemicalize site






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