ChemSpider 2D Image | melianin C | C37H48O8

melianin C

  • Molecular FormulaC37H48O8
  • Average mass620.772 Da
  • Monoisotopic mass620.334900 Da
  • ChemSpider ID10229264

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1α,3α,5α,7α,13α,17α,20S)-1,7-Diacetoxy-3-(benzoyloxy)-4,4,8-trimethylcard-14-enolid [German] [ACD/IUPAC Name]
(1α,3α,5α,7α,13α,17α,20S)-1,7-Diacetoxy-3-(benzoyloxy)-4,4,8-trimethylcard-14-enolide [ACD/IUPAC Name]
(1α,3α,5α,7α,13α,17α,20S)-1,7-Diacétoxy-3-(benzoyloxy)-4,4,8-triméthylcard-14-énolide [French] [ACD/IUPAC Name]
Card-14-enolide, 1,7-bis(acetyloxy)-3-(benzoyloxy)-4,4,8-trimethyl-, (1α,3α,5α,7α,13α,17α,20S)- [ACD/Index Name]
melianin C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 680.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 278.4±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 167.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 6.86
ACD/BCF (pH 5.5): 96604.80
ACD/KOC (pH 5.5): 128777.76
ACD/LogD (pH 7.4): 6.86
ACD/BCF (pH 7.4): 96604.80
ACD/KOC (pH 7.4): 128777.76
Polar Surface Area: 105 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 509.8±5.0 cm3

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