ChemSpider 2D Image | 6-{[(5,6a-Dihydroxy-2,3b,4-trimethyl-6-oxo-2,3,3a,3b,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-2-yl)carbonyl]oxy}-2,3b-dimethyl-4-methylene-5-oxo-2,3,3a,3b,4,5,7,7a-octahydro-1H-cyclopenta[a]pental ene-2-carboxylic acid | C30H36O8

6-{[(5,6a-Dihydroxy-2,3b,4-trimethyl-6-oxo-2,3,3a,3b,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-2-yl)carbonyl]oxy}-2,3b-dimethyl-4-methylene-5-oxo-2,3,3a,3b,4,5,7,7a-octahydro-1H-cyclopenta[a]pental ene-2-carboxylic acid

  • Molecular FormulaC30H36O8
  • Average mass524.602 Da
  • Monoisotopic mass524.241028 Da
  • ChemSpider ID78444619

More details:

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

1H-Cyclopenta[a]pentalene-2-carboxylic acid, 2,3,3a,3b,6,6a,7,7a-octahydro-5,6a-dihydroxy-2,3b,4-trimethyl-6-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-{[(5,6a-Dihydroxy-2,3b,4-trimethyl-6-oxo-2,3,3a,3b,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-2-yl)carbonyl]oxy}-2,3b-dimethyl-4-methylen-5-oxo-2,3,3a,3b,4,5,7,7a-octahydro-1H-cyclopenta[a]pentale n-2-carbonsäure [German] [ACD/IUPAC Name]
6-{[(5,6a-Dihydroxy-2,3b,4-trimethyl-6-oxo-2,3,3a,3b,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-2-yl)carbonyl]oxy}-2,3b-dimethyl-4-methylene-5-oxo-2,3,3a,3b,4,5,7,7a-octahydro-1H-cyclopenta[a]pental ene-2-carboxylic acid [ACD/IUPAC Name]
Acide 6-{[(5,6a-dihydroxy-2,3b,4-triméthyl-6-oxo-2,3,3a,3b,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalén-2-yl)carbonyl]oxy}-2,3b-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 E

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

Density: 1.4±0.1 g/cm3
Boiling Point: 737.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 242.6±26.4 °C
Index of Refraction: 1.628
Molar Refractivity: 133.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 43.88
ACD/KOC (pH 5.5): 285.11
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.33
Polar Surface Area: 138 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 377.3±5.0 cm3

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