ChemSpider 2D Image | 6-({[6-({[5-Hydroxy-4-(methoxymethyl)-2,3b-dimethyl-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-cycl openta[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]pentalene-2-carboxylic acid | C46H54O11

6-({[6-({[5-Hydroxy-4-(methoxymethyl)-2,3b-dimethyl-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-cycl openta[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]pentalene-2-carboxylic acid

  • Molecular FormulaC46H54O11
  • Average mass782.914 Da
  • Monoisotopic mass782.366638 Da
  • ChemSpider ID78443709

More details:

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

1H-Cyclopenta[a]pentalene-2-carboxylic acid, 2,3,3a,3b,4,5,7,7a-octahydro-2,3b-dimethyl-4-methylene-6-[[[2,3,3a,3b,6,6a,7,7a-octahydro-5-hydroxy-4-(methoxymethyl)-2,3b-dimethyl-6-oxo-1H-cyclopenta[a]p entalen-2-yl]carbonyl]oxy]-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-({[6-({[5-Hydroxy-4-(methoxymethyl)-2,3b-dimethyl-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-cyclo penta[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]pentalen-2-carbonsäure [German] [ACD/IUPAC Name]
6-({[6-({[5-Hydroxy-4-(methoxymethyl)-2,3b-dimethyl-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-cycl openta[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]pentalene-2-carboxylic acid [ACD/IUPAC Name]
Acide 6-({[6-({[5-hydroxy-4-(méthoxyméthyl)-2,3b-diméthyl-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-1 H-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 H

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 203.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 12108.90
ACD/KOC (pH 5.5): 15927.60
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 184.36
ACD/KOC (pH 7.4): 242.49
Polar Surface Area: 171 Å2
Polarizability: 80.5±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 575.6±5.0 cm3

Click to predict properties on the Chemicalize site


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