ChemSpider 2D Image | 2a,4a,7-Trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate | C24H31ClO8

2a,4a,7-Trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate

  • Molecular FormulaC24H31ClO8
  • Average mass482.951 Da
  • Monoisotopic mass482.170746 Da
  • ChemSpider ID35014357

More details:

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

2a,4a,7-Trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate [ACD/IUPAC Name]
2a,4a,7-Trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl-3-chlor-6-hydroxy-4-methoxy-2-methylbenzoat [German] [ACD/IUPAC Name]
3-Chloro-6-hydroxy-4-méthoxy-2-méthylbenzoate de 2a,4a,7-trihydroxy-3-(hydroxyméthyl)-6,6,7b-triméthyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]indén-2-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, 2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester [ACD/Index Name]
2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H,2H,5H,7H,7aH-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
Melleolide D

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

Density: 1.5±0.1 g/cm3
Boiling Point: 660.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.3±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 119.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 611.83
ACD/KOC (pH 5.5): 3416.33
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 226.42
ACD/KOC (pH 7.4): 1264.31
Polar Surface Area: 137 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 329.4±5.0 cm3

Click to predict properties on the Chemicalize site


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