ChemSpider 2D Image | (3beta,5alpha,17xi)-4,4-Dimethylcholesta-8,24-dien-3-ol | C29H48O

(3β,5α,17ξ)-4,4-Dimethylcholesta-8,24-dien-3-ol

  • Molecular FormulaC29H48O
  • Average mass412.691 Da
  • Monoisotopic mass412.370514 Da
  • ChemSpider ID25994967
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(3β,5α,17ξ)-4,4-Dimethylcholesta-8,24-dien-3-ol [ACD/IUPAC Name]
(3β,5α,17ξ)-4,4-Dimethylcholesta-8,24-dien-3-ol [German] [ACD/IUPAC Name]
(3β,5α,17ξ)-4,4-Diméthylcholesta-8,24-dién-3-ol [French] [ACD/IUPAC Name]
Cholesta-8,24-dien-3-ol, 4,4-dimethyl-, (3β,5α,17ξ)- [ACD/Index Name]
(2S,5S,7R,11R,15R)-2,6,6,15-tetramethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-1(10)-en-5-ol
(3β,5α)-4,4-Dimethylcholesta-8,24-dien-3-ol [ACD/IUPAC Name]
04/02/7448
14-Demethyllanosterol
4,4-dimethyl-5 α -cholesta-8,24-dien-3 β -ol
4,4-dimethyl-5a-cholesta-8,24-dien-3-b-ol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 495.1±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.8±6.0 kJ/mol
Flash Point: 217.6±20.7 °C
Index of Refraction: 1.531
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 10.52
ACD/LogD (pH 5.5): 9.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3033583.75
ACD/LogD (pH 7.4): 9.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3033583.75
Polar Surface Area: 20 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 38.1±5.0 dyne/cm
Molar Volume: 415.9±5.0 cm3

Click to predict properties on the Chemicalize site






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