ChemSpider 2D Image | (5alpha,7alpha,13alpha,17alpha,20S,21S,23R,24S)-7-Hydroxy-21-methoxy-4,4,8-trimethyl-21,23:24,25-diepoxycholesta-1,14-dien-3-one | C31H46O5

(5α,7α,13α,17α,20S,21S,23R,24S)-7-Hydroxy-21-methoxy-4,4,8-trimethyl-21,23:24,25-diepoxycholesta-1,14-dien-3-one

  • Molecular FormulaC31H46O5
  • Average mass498.694 Da
  • Monoisotopic mass498.334534 Da
  • ChemSpider ID30825508

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(5α,7α,13α,17α,20S,21S,23R,24S)-7-Hydroxy-21-methoxy-4,4,8-trimethyl-21,23:24,25-diepoxycholesta-1,14-dien-3-on [German] [ACD/IUPAC Name]
(5α,7α,13α,17α,20S,21S,23R,24S)-7-Hydroxy-21-methoxy-4,4,8-trimethyl-21,23:24,25-diepoxycholesta-1,14-dien-3-one [ACD/IUPAC Name]
(5α,7α,13α,17α,20S,21S,23R,24S)-7-Hydroxy-21-méthoxy-4,4,8-triméthyl-21,23:24,25-diépoxycholesta-1,14-dién-3-one [French] [ACD/IUPAC Name]
Cholesta-1,14-dien-3-one, 21,23:24,25-diepoxy-7-hydroxy-21-methoxy-4,4,8-trimethyl-, (5α,7α,13α,17α,20S,21S,23R,24S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 585.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 182.1±23.6 °C
Index of Refraction: 1.566
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 777.43
ACD/KOC (pH 5.5): 4080.71
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 777.43
ACD/KOC (pH 7.4): 4080.71
Polar Surface Area: 68 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 428.2±5.0 cm3

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