ChemSpider 2D Image | 6-{[(2,3b-Dimethyl-4-methylene-5-oxo-6-{[(2,3b,4-trimethyl-5-oxodecahydro-1H-cyclopenta[a]pentalen-2-yl)carbonyl]oxy}-2,3,3a,3b,4,5,7,7a-octahydro-1H-cyclopenta[a]pentalen-2-yl)carbonyl]oxy}-2,3b-dime thyl-4-methylene-5-oxo-2,3,3a,3b,4,5,7,7a-octahydro-1H-cyclopenta[a]pentalene-2-carboxylic acid | C45H54O9

6-{[(2,3b-Dimethyl-4-methylene-5-oxo-6-{[(2,3b,4-trimethyl-5-oxodecahydro-1H-cyclopenta[a]pentalen-2-yl)carbonyl]oxy}-2,3,3a,3b,4,5,7,7a-octahydro-1H-cyclopenta[a]pentalen-2-yl)carbonyl]oxy}-2,3b-dime thyl-4-methylene-5-oxo-2,3,3a,3b,4,5,7,7a-octahydro-1H-cyclopenta[a]pentalene-2-carboxylic acid

  • Molecular FormulaC45H54O9
  • Average mass738.905 Da
  • Monoisotopic mass738.376770 Da
  • ChemSpider ID78444669

More details:

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

1H-Cyclopenta[a]pentalene-2-carboxylic acid, 6-[[(decahydro-2,3b,4-trimethyl-5-oxo-1H-cyclopenta[a]pentalen-2-yl)carbonyl]oxy]-2,3,3a,3b,4,5,7,7a-octahydro-2,3b-dimethyl-4-methylene-5-oxo-, 2-carboxy- 2,3,3a,3b,4,5,7,7a-octahydro-2,3b-dimethyl-4-methylene-5-oxo-1H-cyclopenta[a]pentalen-6-yl ester [ACD/Index Name]
6-{[(2,3b-Dimethyl-4-methylen-5-oxo-6-{[(2,3b,4-trimethyl-5-oxodecahydro-1H-cyclopenta[a]pentalen-2-yl)carbonyl]oxy}-2,3,3a,3b,4,5,7,7a-octahydro-1H-cyclopenta[a]pentalen-2-yl)carbonyl]oxy}-2,3b-dimet hyl-4-methylen-5-oxo-2,3,3a,3b,4,5,7,7a-octahydro-1H-cyclopenta[a]pentalen-2-carbonsäure [German] [ACD/IUPAC Name]
6-{[(2,3b-Dimethyl-4-methylene-5-oxo-6-{[(2,3b,4-trimethyl-5-oxodecahydro-1H-cyclopenta[a]pentalen-2-yl)carbonyl]oxy}-2,3,3a,3b,4,5,7,7a-octahydro-1H-cyclopenta[a]pentalen-2-yl)carbonyl]oxy}-2,3b-dime thyl-4-methylene-5-oxo-2,3,3a,3b,4,5,7,7a-octahydro-1H-cyclopenta[a]pentalene-2-carboxylic acid [ACD/IUPAC Name]
Acide 6-{[(2,3b-diméthyl-4-méthylène-5-oxo-6-{[(2,3b,4-triméthyl-5-oxodécahydro-1H-cyclopenta[a]pentalén-2-yl)carbonyl]oxy}-2,3,3a,3b,4,5,7,7a-octahydro-1H-cyclopenta[a]pentalén-2-yl)carbonyl]oxy}-2,3 b-diméthyl-4-méthylène-5-oxo-2,3,3a,3b,4,5,7,7a-octahydro-1H-cyclopenta[a]pentalène-2-carboxylique [French] [ACD/IUPAC Name]
Sterhirsutin I

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 195.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 6.74
ACD/BCF (pH 5.5): 46832.16
ACD/KOC (pH 5.5): 41945.60
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 737.06
ACD/KOC (pH 7.4): 660.16
Polar Surface Area: 141 Å2
Polarizability: 77.5±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 564.2±5.0 cm3

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