ChemSpider 2D Image | 2-[3-(6-Acetoxy-2-hydroxy-6-methyl-3-oxo-2-heptanyl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid | C32H48O10

2-[3-(6-Acetoxy-2-hydroxy-6-methyl-3-oxo-2-heptanyl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid

  • Molecular FormulaC32H48O10
  • Average mass592.718 Da
  • Monoisotopic mass592.324768 Da
  • ChemSpider ID22370236

More details:






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

1H-Benz[e]indene-6,7-diacetic acid, 3-[5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxohexyl]-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-2-hydroxy-α77,3a,5a,9b-pentamethyl-5-oxo- [ACD/Index Name]
2-[3-(6-Acetoxy-2-hydroxy-6-methyl-3-oxo-2-heptanyl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid [ACD/IUPAC Name]
2-[3-(6-Acetoxy-2-hydroxy-6-methyl-3-oxo-2-heptanyl)-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalin-7-yl]-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide 2-[3-(6-acétoxy-2-hydroxy-6-méthyl-3-oxo-2-heptanyl)-6-(carboxyméthyl)-2-hydroxy-3a,5a,9b-triméthyl-5-oxo-2,3,3a,4,5,5a,6,9,9a,9b-décahydro-1H-cyclopenta[a]naphtalén-7-yl]-2-méthylpropanoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 741.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.5±6.0 kJ/mol
Flash Point: 230.5±26.4 °C
Index of Refraction: 1.545
Molar Refractivity: 151.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.31
ACD/KOC (pH 5.5): 11.32
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 478.2±3.0 cm3

Click to predict properties on the Chemicalize site






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