ChemSpider 2D Image | 6-{[2,4-Dihydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)benzoyl]oxy}-2,3b-dimethyl-4-methylene-5-oxo-2,3,3a,3b,4,5,7,7a-octahydro-1H-cyclopenta[a]pentalene-2-carboxylic acid | C28H32O7

6-{[2,4-Dihydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)benzoyl]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 FormulaC28H32O7
  • Average mass480.549 Da
  • Monoisotopic mass480.214813 Da
  • ChemSpider ID78443708

More details:

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

1H-Cyclopenta[a]pentalene-2-carboxylic acid, 6-[[2,4-dihydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)benzoyl]oxy]-2,3,3a,3b,4,5,7,7a-octahydro-2,3b-dimethyl-4-methylene-5-oxo- [ACD/Index Name]
6-{[2,4-Dihydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)benzoyl]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-{[2,4-Dihydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)benzoyl]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-{[2,4-dihydroxy-6-méthyl-3-(3-méthyl-2-butén-1-yl)benzoyl]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 J

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

Density: 1.3±0.1 g/cm3
Boiling Point: 694.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 230.8±25.0 °C
Index of Refraction: 1.623
Molar Refractivity: 127.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 4148.95
ACD/KOC (pH 5.5): 7368.82
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 47.04
ACD/KOC (pH 7.4): 83.54
Polar Surface Area: 121 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 362.4±5.0 cm3

Click to predict properties on the Chemicalize site


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