ChemSpider 2D Image | (2R,2aS,7R,7aS,7bR)-3-Formyl-2a,7-dihydroxy-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 | C24H29ClO7

(2R,2aS,7R,7aS,7bR)-3-Formyl-2a,7-dihydroxy-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 FormulaC24H29ClO7
  • Average mass464.936 Da
  • Monoisotopic mass464.160187 Da
  • ChemSpider ID78439615

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,2aS,7R,7aS,7bR)-3-Formyl-2a,7-dihydroxy-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]
(2R,2aS,7R,7aS,7bR)-3-Formyl-2a,7-dihydroxy-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 (2R,2aS,7R,7aS,7bR)-3-formyl-2a,7-dihydroxy-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-, (2R,2aS,7R,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester [ACD/Index Name]
Armillarikin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 620.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 329.1±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 116.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1006.91
ACD/KOC (pH 5.5): 4880.29
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 374.00
ACD/KOC (pH 7.4): 1812.68
Polar Surface Area: 113 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 332.0±5.0 cm3

Click to predict properties on the Chemicalize site


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