ChemSpider 2D Image | pouogenin B | C36H56O8

pouogenin B

  • Molecular FormulaC36H56O8
  • Average mass616.825 Da
  • Monoisotopic mass616.397522 Da
  • ChemSpider ID28431012

  • 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

(2S,3E,5R,7E)-10-[(1S,3S,6S)-6-Acetoxy-3-hydroxy-2,2,6-trimethylcyclohexyl]-3,8-dimethyl-1-[(1R)-2,6,6-trimethyl-5-oxo-2-cyclohexen-1-yl]-3,7-decadien-2,5-diyl-diacetat [German] [ACD/IUPAC Name]
(2S,3E,5R,7E)-10-[(1S,3S,6S)-6-Acetoxy-3-hydroxy-2,2,6-trimethylcyclohexyl]-3,8-dimethyl-1-[(1R)-2,6,6-trimethyl-5-oxo-2-cyclohexen-1-yl]-3,7-decadiene-2,5-diyl diacetate [ACD/IUPAC Name]
3-Cyclohexen-1-one, 5-[(2S,3E,5R,7E)-2,5-bis(acetyloxy)-10-[(1S,3S,6S)-6-(acetyloxy)-3-hydroxy-2,2,6-trimethylcyclohexyl]-3,8-dimethyl-3,7-decadien-1-yl]-4,6,6-trimethyl-, (5R)- [ACD/Index Name]
Diacétate de (2S,3E,5R,7E)-10-[(1S,3S,6S)-6-acétoxy-3-hydroxy-2,2,6-triméthylcyclohexyl]-3,8-diméthyl-1-[(1R)-2,6,6-triméthyl-5-oxo-2-cyclohexén-1-yl]-3,7-décadiène-2,5-diyle [French] [ACD/IUPAC Name]
pouogenin B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 660.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±6.0 kJ/mol
Flash Point: 191.7±25.0 °C
Index of Refraction: 1.517
Molar Refractivity: 170.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 7.11
ACD/BCF (pH 5.5): 148199.89
ACD/KOC (pH 5.5): 174932.44
ACD/LogD (pH 7.4): 7.11
ACD/BCF (pH 7.4): 148199.89
ACD/KOC (pH 7.4): 174932.44
Polar Surface Area: 116 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 564.3±5.0 cm3

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