ChemSpider 2D Image | (4betaH)-5alpha-hydroxy-8alpha-(2-methylbut-2-enoyloxy)-2-oxo-1(10),11(13)-guaiadien-12,6alpha-olide | C20H24O6

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

  • Molecular FormulaC20H24O6
  • Average mass360.401 Da
  • Monoisotopic mass360.157288 Da
  • ChemSpider ID28284813

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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(2E)-2-Méthyl-2-buténoate de (3aR,4S,9R,9aR,9bS)-9a-hydroxy-6,9-diméthyl-3-méthylène-2,7-dioxo-2,3,3a,4,5,7,8,9,9a,9b-décahydroazuléno[4,5-b]furan-4-yle [French] [ACD/IUPAC Name]
(3aR,4S,9R,9aR,9bS)-2,3,3a,4,5,7,8,9,9a,9b-Decahydro-9a-hydroxy-6,9-dimethyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-4-yl (2E)-2-methyl-2-butenoate
(3aR,4S,9R,9aR,9bS)-9a-Hydroxy-6,9-dimethyl-3-methylen-2,7-dioxo-2,3,3a,4,5,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-4-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(3aR,4S,9R,9aR,9bS)-9a-Hydroxy-6,9-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,5,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-4-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(4βH)-5α-hydroxy-8α-(2-methylbut-2-enoyloxy)-2-oxo-1(10),11(13)-guaiadien-12,6α-olide
1039025-72-3 [RN]
2-Butenoic acid, 2-methyl-, (3aR,4S,9R,9aR,9bS)-2,3,3a,4,5,7,8,9,9a,9b-decahydro-9a-hydroxy-6,9-dimethyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-4-yl ester, (2E)- [ACD/Index Name]
(3aR,4S,9R,9aR,9bS)-9a-hydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-4-yl (2E)-2-methylbut-2-enoate
(4bH)-5a-hydroxy-8a-(2-methylbut-2-enoyloxy)-2-oxo-1(10),11(13)-guaiadien-12,6a-olide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 560.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.9±6.0 kJ/mol
Flash Point: 198.4±23.6 °C
Index of Refraction: 1.561
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.29
ACD/KOC (pH 5.5): 289.54
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.29
ACD/KOC (pH 7.4): 289.52
Polar Surface Area: 90 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 285.7±5.0 cm3

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