ChemSpider 2D Image | pouogenin A | C32H52O6

pouogenin A

  • Molecular FormulaC32H52O6
  • Average mass532.752 Da
  • Monoisotopic mass532.376404 Da
  • ChemSpider ID28431285

  • 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)-2-{(3E,6R,7E,9S)-6,9-Dihydroxy-3,8-dimethyl-10-[(1R)-2,6,6-trimethyl-5-oxo-2-cyclohexen-1-yl]-3,7-decadien-1-yl}-4-hydroxy-1,3,3-trimethylcyclohexyl acetate [ACD/IUPAC Name]
(1S,2S,4S)-2-{(3E,6R,7E,9S)-6,9-Dihydroxy-3,8-dimethyl-10-[(1R)-2,6,6-trimethyl-5-oxo-2-cyclohexen-1-yl]-3,7-decadien-1-yl}-4-hydroxy-1,3,3-trimethylcyclohexyl-acetat [German] [ACD/IUPAC Name]
3-Cyclohexen-1-one, 5-[(2S,3E,5R,7E)-10-[(1S,3S,6S)-6-(acetyloxy)-3-hydroxy-2,2,6-trimethylcyclohexyl]-2,5-dihydroxy-3,8-dimethyl-3,7-decadien-1-yl]-4,6,6-trimethyl-, (5R)- [ACD/Index Name]
Acétate de (1S,2S,4S)-2-{(3E,6R,7E,9S)-6,9-dihydroxy-3,8-diméthyl-10-[(1R)-2,6,6-triméthyl-5-oxo-2-cyclohexén-1-yl]-3,7-décadién-1-yl}-4-hydroxy-1,3,3-triméthylcyclohexyle [French] [ACD/IUPAC Name]
pouogenin 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: 637.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±6.0 kJ/mol
Flash Point: 192.9±25.0 °C
Index of Refraction: 1.532
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8496.27
ACD/KOC (pH 5.5): 22601.21
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8496.26
ACD/KOC (pH 7.4): 22601.21
Polar Surface Area: 104 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 489.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement