ChemSpider 2D Image | (12alpha,14beta)-14-[(2S,3S)-3-(2-Acetoxyethyl)-2-hydroxy-4-oxopentyl]-8-methyl-13-methylenepodocarpan-12-yl acetate | C30H48O6

(12α,14β)-14-[(2S,3S)-3-(2-Acetoxyethyl)-2-hydroxy-4-oxopentyl]-8-methyl-13-methylenepodocarpan-12-yl acetate

  • Molecular FormulaC30H48O6
  • Average mass504.698 Da
  • Monoisotopic mass504.345093 Da
  • ChemSpider ID28525782

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(12α,14β)-14-[(2S,3S)-3-(2-Acetoxyethyl)-2-hydroxy-4-oxopentyl]-8-methyl-13-methylenepodocarpan-12-yl acetate [ACD/IUPAC Name]
(12α,14β)-14-[(2S,3S)-3-(2-Acetoxyethyl)-2-hydroxy-4-oxopentyl]-8-methyl-13-methylenpodocarpan-12-yl-acetat [German] [ACD/IUPAC Name]
2-Pentanone, 3-[2-(acetyloxy)ethyl]-5-[(1S,3S,4aR,4bS,8aS,10aR)-3-(acetyloxy)tetradecahydro-4b,8,8,10a-tetramethyl-2-methylene-1-phenanthrenyl]-4-hydroxy-, (3S,4S)- [ACD/Index Name]
Acétate de (12α,14β)-14-[(2S,3S)-3-(2-acétoxyéthyl)-2-hydroxy-4-oxopentyl]-8-méthyl-13-méthylènepodocarpan-12-yle [French] [ACD/IUPAC Name]
flabelliferin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 579.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.6±6.0 kJ/mol
Flash Point: 176.4±23.6 °C
Index of Refraction: 1.515
Molar Refractivity: 139.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 6.59
ACD/BCF (pH 5.5): 60226.95
ACD/KOC (pH 5.5): 91823.84
ACD/LogD (pH 7.4): 6.59
ACD/BCF (pH 7.4): 60226.95
ACD/KOC (pH 7.4): 91823.84
Polar Surface Area: 90 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 462.7±5.0 cm3

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