ChemSpider 2D Image | (3beta,14beta)-14-[(4Z)-5-Hydroxy-3-oxo-4-hexen-1-yl]-8-methyl-13-methylenepodocarpan-3-yl acetate | C27H42O4

(3β,14β)-14-[(4Z)-5-Hydroxy-3-oxo-4-hexen-1-yl]-8-methyl-13-methylenepodocarpan-3-yl acetate

  • Molecular FormulaC27H42O4
  • Average mass430.620 Da
  • Monoisotopic mass430.308319 Da
  • ChemSpider ID35517063

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3β,14β)-14-[(4Z)-5-Hydroxy-3-oxo-4-hexen-1-yl]-8-methyl-13-methylenepodocarpan-3-yl acetate [ACD/IUPAC Name]
(3β,14β)-14-[(4Z)-5-Hydroxy-3-oxo-4-hexen-1-yl]-8-methyl-13-methylenpodocarpan-3-yl-acetat [German] [ACD/IUPAC Name]
4-Hexen-3-one, 1-[(1R,4aS,4bR,7S,8aR,10aS)-7-(acetyloxy)tetradecahydro-4b,8,8,10a-tetramethyl-2-methylene-1-phenanthrenyl]-5-hydroxy-, (4Z)- [ACD/Index Name]
Acétate de (3β,14β)-14-[(4Z)-5-hydroxy-3-oxo-4-hexén-1-yl]-8-méthyl-13-méthylènepodocarpan-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 516.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 160.7±23.6 °C
Index of Refraction: 1.525
Molar Refractivity: 123.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 97220.36
ACD/KOC (pH 5.5): 129338.75
ACD/LogD (pH 7.4): 6.84
ACD/BCF (pH 7.4): 92111.02
ACD/KOC (pH 7.4): 122541.46
Polar Surface Area: 64 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 403.6±5.0 cm3

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