ChemSpider 2D Image | 6-Acetoxy-3,3a-dihydroxy-3,6,9-trimethyl-4-[(2-methylbutanoyl)oxy]-7-[(3-methylbutanoyl)oxy]-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-8-yl (2E)-2-methyl-2-butenoate | C32H46O12

6-Acetoxy-3,3a-dihydroxy-3,6,9-trimethyl-4-[(2-methylbutanoyl)oxy]-7-[(3-methylbutanoyl)oxy]-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-8-yl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC32H46O12
  • Average mass622.700 Da
  • Monoisotopic mass622.298950 Da
  • ChemSpider ID4944919

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Méthyl-2-buténoate de 6-acétoxy-3,3a-dihydroxy-3,6,9-triméthyl-4-[(2-méthylbutanoyl)oxy]-7-[(3-méthylbutanoyl)oxy]-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-décahydroazuléno[4,5-b]furan-8-yle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-7-(3-methyl-1-oxobutoxy)-2-oxoazuleno(4,5-b)furan-8-yl ester
2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-7-(3-methyl-1-oxobutoxy)-2-oxoazuleno[4,5-b]furan-8-yl ester, (2E)- [ACD/Index Name]
6-Acetoxy-3,3a-dihydroxy-3,6,9-trimethyl-4-[(2-methylbutanoyl)oxy]-7-[(3-methylbutanoyl)oxy]-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-8-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
6-Acetoxy-3,3a-dihydroxy-3,6,9-trimethyl-4-[(2-methylbutanoyl)oxy]-7-[(3-methylbutanoyl)oxy]-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-8-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
81127-21-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 665.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±6.0 kJ/mol
Flash Point: 201.0±25.0 °C
Index of Refraction: 1.541
Molar Refractivity: 155.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3077.83
ACD/KOC (pH 5.5): 10926.44
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3075.40
ACD/KOC (pH 7.4): 10917.82
Polar Surface Area: 172 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 495.0±5.0 cm3

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