ChemSpider 2D Image | (11alpha,12beta)-3,11-Bis(benzoyloxy)-12,14-dihydroxy-7,15-epoxycard-20(22)-enolide | C37H40O9

(11α,12β)-3,11-Bis(benzoyloxy)-12,14-dihydroxy-7,15-epoxycard-20(22)-enolide

  • Molecular FormulaC37H40O9
  • Average mass628.708 Da
  • Monoisotopic mass628.267212 Da
  • ChemSpider ID22903898
  • defined stereocentres - 1 of 12 defined stereocentres


More details:






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

(11α,12β)-3,11-Bis(benzoyloxy)-12,14-dihydroxy-7,15-epoxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(11α,12β)-3,11-Bis(benzoyloxy)-12,14-dihydroxy-7,15-epoxycard-20(22)-enolide [ACD/IUPAC Name]
(11α,12β)-3,11-Bis(benzoyloxy)-12,14-dihydroxy-7,15-époxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3,11-bis(benzoyloxy)-7,15-epoxy-12,14-dihydroxy-, (11α,12β)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 784.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 247.0±26.4 °C
Index of Refraction: 1.651
Molar Refractivity: 164.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1428.34
ACD/KOC (pH 5.5): 6307.06
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1428.34
ACD/KOC (pH 7.4): 6307.05
Polar Surface Area: 129 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 451.2±5.0 cm3

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