ChemSpider 2D Image | 6-{[2,4-Dihydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)benzoyl]oxy}-6a-methoxy-2,3b-dimethyl-4-methylene-5-oxodecahydro-1H-cyclopenta[a]pentalene-2-carboxylic acid | C29H36O8

6-{[2,4-Dihydroxy-6-methyl-3-(3-methyl-2-buten-1-yl)benzoyl]oxy}-6a-methoxy-2,3b-dimethyl-4-methylene-5-oxodecahydro-1H-cyclopenta[a]pentalene-2-carboxylic acid

  • Molecular FormulaC29H36O8
  • Average mass512.591 Da
  • Monoisotopic mass512.241028 Da
  • ChemSpider ID78444647

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]decahydro-6a-methoxy-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}-6a-methoxy-2,3b-dimethyl-4-methylen-5-oxodecahydro-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}-6a-methoxy-2,3b-dimethyl-4-methylene-5-oxodecahydro-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}-6a-méthoxy-2,3b-diméthyl-4-méthylène-5-oxodécahydro-1H-cyclopenta[a]pentalène-2-carboxylique [French] [ACD/IUPAC Name]
Sterhirsutin K

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

Density: 1.3±0.1 g/cm3
Boiling Point: 684.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 222.3±25.0 °C
Index of Refraction: 1.603
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 787.35
ACD/KOC (pH 5.5): 2133.00
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 9.54
ACD/KOC (pH 7.4): 25.85
Polar Surface Area: 130 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 392.4±5.0 cm3

Click to predict properties on the Chemicalize site


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