ChemSpider 2D Image | pouogenin E | C32H50O7

pouogenin E

  • Molecular FormulaC32H50O7
  • Average mass546.735 Da
  • Monoisotopic mass546.355652 Da
  • ChemSpider ID28478130

  • 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

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 672.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 205.8±25.0 °C
Index of Refraction: 1.538
Molar Refractivity: 152.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1669.24
ACD/KOC (pH 5.5): 7051.41
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1669.23
ACD/KOC (pH 7.4): 7051.39
Polar Surface Area: 121 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 485.9±5.0 cm3

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