ChemSpider 2D Image | 6-{[(6-Chloro-2,3b-dimethyl-4-methylene-5-oxo-2,3,3a,3b,4,5,7,7a-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]pent alene-2-carboxylic acid | C30H33ClO6

6-{[(6-Chloro-2,3b-dimethyl-4-methylene-5-oxo-2,3,3a,3b,4,5,7,7a-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]pent alene-2-carboxylic acid

  • Molecular FormulaC30H33ClO6
  • Average mass525.032 Da
  • Monoisotopic mass524.196594 Da
  • ChemSpider ID78443706

More details:

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

1H-Cyclopenta[a]pentalene-2-carboxylic acid, 6-chloro-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-cyclopent a[a]pentalen-6-yl ester [ACD/Index Name]
6-{[(6-Chlor-2,3b-dimethyl-4-methylen-5-oxo-2,3,3a,3b,4,5,7,7a-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-{[(6-Chloro-2,3b-dimethyl-4-methylene-5-oxo-2,3,3a,3b,4,5,7,7a-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]pent alene-2-carboxylic acid [ACD/IUPAC Name]
Acide 6-{[(6-chloro-2,3b-diméthyl-4-méthylène-5-oxo-2,3,3a,3b,4,5,7,7a-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 F

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

Density: 1.4±0.1 g/cm3
Boiling Point: 701.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 111.8±6.0 kJ/mol
Flash Point: 378.0±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1005.96
ACD/KOC (pH 5.5): 2683.96
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 15.83
ACD/KOC (pH 7.4): 42.24
Polar Surface Area: 98 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 388.7±5.0 cm3

Click to predict properties on the Chemicalize site


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