ChemSpider 2D Image | (1S,4S,7S,9beta,23R)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,7,23-triol | C30H50O3

(1S,4S,7S,9β,23R)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,7,23-triol

  • Molecular FormulaC30H50O3
  • Average mass458.716 Da
  • Monoisotopic mass458.376007 Da
  • ChemSpider ID28492151

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,4S,7S,9β,23R)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1,7,23-triol [German] [ACD/IUPAC Name]
(1S,4S,7S,9β,23R)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,7,23-triol [ACD/IUPAC Name]
(1S,4S,7S,9β,23R)-9,10,14-Triméthyl-4,9-cyclo-9,10-sécocholesta-5,24-diène-1,7,23-triol [French] [ACD/IUPAC Name]
Estr-5-ene-3,7-diol, 17-[(1R,3R)-3-hydroxy-1,5-dimethyl-4-hexen-1-yl]-4,4,9,14-tetramethyl-, (3β,7β,9β,10α,17β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 565.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 230.0±21.9 °C
Index of Refraction: 1.551
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 6.83
ACD/BCF (pH 5.5): 92080.38
ACD/KOC (pH 5.5): 124431.45
ACD/LogD (pH 7.4): 6.83
ACD/BCF (pH 7.4): 92080.38
ACD/KOC (pH 7.4): 124431.45
Polar Surface Area: 61 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 428.3±5.0 cm3

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