ChemSpider 2D Image | (1aS,7R,7aR,10aS,10bR)-1a-(Hydroxymethyl)-5-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-7-yl (2E)-4-hydroxy-2-methyl-2-butenoate | C20H26O7

(1aS,7R,7aR,10aS,10bR)-1a-(Hydroxymethyl)-5-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-7-yl (2E)-4-hydroxy-2-methyl-2-butenoate

  • Molecular FormulaC20H26O7
  • Average mass378.416 Da
  • Monoisotopic mass378.167847 Da
  • ChemSpider ID58149592
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(1aS,7R,7aR,10aS,10bR)-1a-(Hydroxymethyl)-5-methyl-8-methylen-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-7-yl-(2E)-4-hydroxy-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(1aS,7R,7aR,10aS,10bR)-1a-(Hydroxymethyl)-5-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-7-yl (2E)-4-hydroxy-2-methyl-2-butenoate [ACD/IUPAC Name]
(2E)-4-Hydroxy-2-méthyl-2-buténoate de (1aS,7R,7aR,10aS,10bR)-1a-(hydroxyméthyl)-5-méthyl-8-méthylène-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-décahydrooxiréno[9,10]cyclodéca[1,2-b]furan-7-yle [French] [ACD/IUPAC Name]
2-Butenoic acid, 4-hydroxy-2-methyl-, (1aS,7R,7aR,10aS,10bR)-1a,2,3,6,7,7a,8,9,10a,10b-decahydro-1a-(hydroxymethyl)-5-methyl-8-methylene-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl ester, (2E)- [ACD/Index Name]
57718-77-1 [RN]
Eupahyssopin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 593.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.5±6.0 kJ/mol
Flash Point: 209.2±23.6 °C
Index of Refraction: 1.570
Molar Refractivity: 95.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.05
ACD/KOC (pH 5.5): 206.69
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.05
ACD/KOC (pH 7.4): 206.69
Polar Surface Area: 106 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 292.3±5.0 cm3

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