ChemSpider 2D Image | (4betaH)-8alpha-(2-methylbut-2-enoyloxy)-2-oxo-1(5),10(14),11(13)-guaiatrien-12,6alpha-olide | C20H22O5

(4βH)-8α-(2-methylbut-2-enoyloxy)-2-oxo-1(5),10(14),11(13)-guaiatrien-12,6α-olide

  • Molecular FormulaC20H22O5
  • Average mass342.386 Da
  • Monoisotopic mass342.146729 Da
  • ChemSpider ID29367964

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E)-2-Méthyl-2-buténoate de (3aR,4S,9R,9bS)-9-méthyl-3,6-diméthylène-2,7-dioxo-2,3,3a,4,5,6,7,8,9,9b-décahydroazuléno[4,5-b]furan-4-yle [French] [ACD/IUPAC Name]
(3aR,4S,9R,9bS)-2,3,3a,4,5,6,7,8,9,9b-Decahydro-9-methyl-3,6-bis(methylene)-2,7-dioxoazuleno[4,5-b]furan-4-yl (2E)-2-methyl-2-butenoate
(3aR,4S,9R,9bS)-9-Methyl-3,6-bis(methylene)-2,7-dioxo-2,3,3a,4,5,6,7,8,9,9b-decahydroazuleno[4,5-b]furan-4-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(3aR,4S,9R,9bS)-9-Methyl-3,6-dimethylen-2,7-dioxo-2,3,3a,4,5,6,7,8,9,9b-decahydroazuleno[4,5-b]furan-4-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(4βH)-8α-(2-methylbut-2-enoyloxy)-2-oxo-1(5),10(14),11(13)-guaiatrien-12,6α-olide
1039025-75-6 [RN]
2-Butenoic acid, 2-methyl-, (3aR,4S,9R,9bS)-2,3,3a,4,5,6,7,8,9,9b-decahydro-9-methyl-3,6-bis(methylene)-2,7-dioxoazuleno[4,5-b]furan-4-yl ester, (2E)- [ACD/Index Name]
(3aR,4S,9R,9bS)-9-methyl-3,6-dimethylidene-2,7-dioxo-2,3,3a,4,5,6,7,8,9,9b-decahydroazuleno[4,5-b]furan-4-yl (2E)-2-methylbut-2-enoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 545.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 240.1±30.2 °C
Index of Refraction: 1.552
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.76
ACD/KOC (pH 5.5): 877.14
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.76
ACD/KOC (pH 7.4): 877.14
Polar Surface Area: 70 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 283.1±5.0 cm3

Click to predict properties on the Chemicalize site


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