ChemSpider 2D Image | (5alpha,7alpha,9xi,13alpha,17alpha,20S,23R)-24-Hydroxy-4,4,8-trimethyl-3-oxo-21,23:24,25-diepoxycholesta-1,14-dien-7-yl acetate | C32H46O6

(5α,7α,9ξ,13α,17α,20S,23R)-24-Hydroxy-4,4,8-trimethyl-3-oxo-21,23:24,25-diepoxycholesta-1,14-dien-7-yl acetate

  • Molecular FormulaC32H46O6
  • Average mass526.704 Da
  • Monoisotopic mass526.329468 Da
  • ChemSpider ID28287077

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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(5α,7α,9ξ,13α,17α,20S,23R)-24-Hydroxy-4,4,8-trimethyl-3-oxo-21,23:24,25-diepoxycholesta-1,14-dien-7-yl acetate [ACD/IUPAC Name]
(5α,7α,9ξ,13α,17α,20S,23R)-24-Hydroxy-4,4,8-trimethyl-3-oxo-21,23:24,25-diepoxycholesta-1,14-dien-7-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,7α,9ξ,13α,17α,20S,23R)-24-hydroxy-4,4,8-triméthyl-3-oxo-21,23:24,25-diépoxycholesta-1,14-dién-7-yle [French] [ACD/IUPAC Name]
protoxylocarpin H

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

Density: 1.2±0.1 g/cm3
Boiling Point: 609.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.8±6.0 kJ/mol
Flash Point: 188.7±25.0 °C
Index of Refraction: 1.570
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3066.74
ACD/KOC (pH 5.5): 10898.30
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3066.72
ACD/KOC (pH 7.4): 10898.22
Polar Surface Area: 85 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 440.2±5.0 cm3

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