ChemSpider 2D Image | (5alpha,7alpha,11alpha,13alpha,17alpha,20S,23R,24R)-11,23,25-Trihydroxy-4,4,8-trimethyl-3-oxo-21,24-epoxycholesta-1,14-dien-7-yl acetate | C32H48O7

(5α,7α,11α,13α,17α,20S,23R,24R)-11,23,25-Trihydroxy-4,4,8-trimethyl-3-oxo-21,24-epoxycholesta-1,14-dien-7-yl acetate

  • Molecular FormulaC32H48O7
  • Average mass544.719 Da
  • Monoisotopic mass544.340027 Da
  • ChemSpider ID28505594

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(5α,7α,11α,13α,17α,20S,23R,24R)-11,23,25-Trihydroxy-4,4,8-trimethyl-3-oxo-21,24-epoxycholesta-1,14-dien-7-yl acetate [ACD/IUPAC Name]
(5α,7α,11α,13α,17α,20S,23R,24R)-11,23,25-Trihydroxy-4,4,8-trimethyl-3-oxo-21,24-epoxycholesta-1,14-dien-7-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,7α,11α,13α,17α,20S,23R,24R)-11,23,25-trihydroxy-4,4,8-triméthyl-3-oxo-21,24-époxycholesta-1,14-dién-7-yle [French] [ACD/IUPAC Name]
Cholesta-1,14-dien-3-one, 7-(acetyloxy)-21,24-epoxy-11,23,25-trihydroxy-4,4,8-trimethyl-, (5α,7α,11α,13α,17α,20S,23R,24R)- [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: 658.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±6.0 kJ/mol
Flash Point: 204.9±25.0 °C
Index of Refraction: 1.573
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 240.23
ACD/KOC (pH 5.5): 1760.59
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 240.23
ACD/KOC (pH 7.4): 1760.59
Polar Surface Area: 113 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 448.3±5.0 cm3

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