ChemSpider 2D Image | 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-cyclopent a[a]pentalene-2-carboxylic acid | C31H38O8

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-cyclopent a[a]pentalene-2-carboxylic acid

  • Molecular FormulaC31H38O8
  • Average mass538.629 Da
  • Monoisotopic mass538.256653 Da
  • ChemSpider ID78443704

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- [ACD/Index Name]
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-cyclopenta [a]pentalen-2-carbonsäure [German] [ACD/IUPAC Name]
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-cyclopent a[a]pentalene-2-carboxylic acid [ACD/IUPAC Name]
Acide 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-1H-cyc lopenta[a]pentalène-2-carboxylique [French] [ACD/IUPAC Name]
Sterhirsutin G

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

Density: 1.3±0.1 g/cm3
Boiling Point: 718.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.0±6.0 kJ/mol
Flash Point: 233.1±26.4 °C
Index of Refraction: 1.606
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 100.37
ACD/KOC (pH 5.5): 515.53
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 7.85
Polar Surface Area: 127 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 402.2±5.0 cm3

Click to predict properties on the Chemicalize site


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