ChemSpider 2D Image | 6-Acetoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2E)-2-methyl-2-butenoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4,7-diyl dipentanoate | C32H46O12

6-Acetoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2E)-2-methyl-2-butenoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4,7-diyl dipentanoate

  • Molecular FormulaC32H46O12
  • Average mass622.700 Da
  • Monoisotopic mass622.298950 Da
  • ChemSpider ID4585195

  • Double-bond stereo - Double-bond stereo

More details:

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

6-Acetoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2E)-2-methyl-2-butenoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4,7-diyl dipentanoate [ACD/IUPAC Name]
6-Acetoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2E)-2-methyl-2-butenoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4,7-diyl-dipentanoat [German] [ACD/IUPAC Name]
Dipentanoate de 6-acétoxy-3,3a-dihydroxy-3,6,9-triméthyl-8-{[(2E)-2-méthyl-2-butenoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-décahydroazuléno[4,5-b]furane-4,7-diyle [French] [ACD/IUPAC Name]
Pentanoic acid, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2-oxoazuleno[4,5-b]furan-4,7-diyl ester [ACD/Index Name]
THAPSIA VILLOSA COMPD

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

NSC299934 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 673.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±6.0 kJ/mol
Flash Point: 203.8±25.0 °C
Index of Refraction: 1.542
Molar Refractivity: 155.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4514.89
ACD/KOC (pH 5.5): 14374.36
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4511.41
ACD/KOC (pH 7.4): 14363.28
Polar Surface Area: 172 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 493.8±5.0 cm3

Click to predict properties on the Chemicalize site


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