ChemSpider 2D Image | pouogenin D | C34H54O8

pouogenin D

  • Molecular FormulaC34H54O8
  • Average mass590.788 Da
  • Monoisotopic mass590.381897 Da
  • ChemSpider ID28481201

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,2S,4S)-2-{(3E,6R,7E,9S)-9-Acetoxy-6-hydroxy-10-[(1S,2S)-2-hydroxy-2,6,6-trimethyl-5-oxo-3-cyclohexen-1-yl]-3,8-dimethyl-3,7-decadien-1-yl}-4-hydroxy-1,3,3-trimethylcyclohexyl acetate [ACD/IUPAC Name]
(1S,2S,4S)-2-{(3E,6R,7E,9S)-9-Acetoxy-6-hydroxy-10-[(1S,2S)-2-hydroxy-2,6,6-trimethyl-5-oxo-3-cyclohexen-1-yl]-3,8-dimethyl-3,7-decadien-1-yl}-4-hydroxy-1,3,3-trimethylcyclohexyl-acetat [German] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 5-[(2S,3E,5R,7E)-2-(acetyloxy)-10-[(1S,3S,6S)-6-(acetyloxy)-3-hydroxy-2,2,6-trimethylcyclohexyl]-5-hydroxy-3,8-dimethyl-3,7-decadien-1-yl]-4-hydroxy-4,6,6-trimethyl-, (4S,5S)- [ACD/Index Name]
Acétate de (1S,2S,4S)-2-{(3E,6R,7E,9S)-9-acétoxy-6-hydroxy-10-[(1S,2S)-2-hydroxy-2,6,6-triméthyl-5-oxo-3-cyclohexén-1-yl]-3,8-diméthyl-3,7-décadién-1-yl}-4-hydroxy-1,3,3-triméthylcyclohexyle [French] [ACD/IUPAC Name]
pouogenin D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 677.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±6.0 kJ/mol
Flash Point: 202.2±25.0 °C
Index of Refraction: 1.534
Molar Refractivity: 163.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 8006.03
ACD/KOC (pH 5.5): 21659.91
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 8006.02
ACD/KOC (pH 7.4): 21659.89
Polar Surface Area: 130 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 524.5±5.0 cm3

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