ChemSpider 2D Image | (2Z,4E)-5-[4,7-Bis(methoxycarbonyl)-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0~1,7~]tridec-3-en-9-yl]-2-methyl-2,4-pentadienoic acid | C23H28O8

(2Z,4E)-5-[4,7-Bis(methoxycarbonyl)-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methyl-2,4-pentadienoic acid

  • Molecular FormulaC23H28O8
  • Average mass432.464 Da
  • Monoisotopic mass432.178406 Da
  • ChemSpider ID39625846

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,4E)-5-[4,7-Bis(methoxycarbonyl)-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methyl-2,4-pentadienoic acid [ACD/IUPAC Name]
(2Z,4E)-5-[4,7-Bis(methoxycarbonyl)-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methyl-2,4-pentadiensäure [German] [ACD/IUPAC Name]
1H-4,9a-Ethanocyclohepta[c]pyran-4a,7(5H)-dicarboxylic acid, 3-[(1E,3Z)-4-carboxy-1,3-pentadien-1-yl]-3,4,6,9-tetrahydro-3-methyl-1-oxo-, 4a,7-dimethyl ester [ACD/Index Name]
Acide (2Z,4E)-5-[4,7-bis(méthoxycarbonyl)-9-méthyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridéc-3-én-9-yl]-2-méthyl-2,4-pentadiénoïque [French] [ACD/IUPAC Name]
82508-31-4 [RN]
Pseudolaric Acid B/(PAB)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 99.4±6.0 kJ/mol
Flash Point: 208.8±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 108.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 5.30
ACD/KOC (pH 5.5): 61.75
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 334.3±5.0 cm3

Click to predict properties on the Chemicalize site


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