ChemSpider 2D Image | Eupalinolide A | C24H30O9

Eupalinolide A

  • Molecular FormulaC24H30O9
  • Average mass462.490 Da
  • Monoisotopic mass462.188995 Da
  • ChemSpider ID28537374

  • 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)-4-Hydroxy-2-méthyl-2-buténoate de (3aR,4R,6Z,9S,10E,11aR)-9-acétoxy-6-(acétoxyméthyl)-10-méthyl-3-méthylène-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodéca[b]furan-4-yle [French] [ACD/IUPAC Name]
(3aR,4R,6Z,9S,10E,11aR)-9-Acetoxy-6-(acetoxymethyl)-10-methyl-3-methylen-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl-(2E)-4-hydroxy-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(3aR,4R,6Z,9S,10E,11aR)-9-Acetoxy-6-(acetoxymethyl)-10-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (2E)-4-hydroxy-2-methyl-2-butenoate [ACD/IUPAC Name]
2-Butenoic acid, 4-hydroxy-2-methyl-, (3aR,4R,6Z,9S,10E,11aR)-9-(acetyloxy)-6-[(acetyloxy)methyl]-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)- [ACD/Index Name]
877822-41-8 [RN]
Eupalinolide A
(3aR,4R,6Z,9S,10E,11aR)-9-(Acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (2E)-4-hydroxy-2-methylbut-2-enoate
(R)-2-(2,6-Dimethylphenyl)pyrrolidine
[877822-41-8] [RN]
2-Butenoic acid, 4-hydroxy-2-methyl-, (3aR,4R,6Z,9S,10E,11aR)-9-(acetyloxy)-6-[(acetyloxy)methyl]-2,3,3a,4, 5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-4- yl ester, (2E)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 618.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.2±6.0 kJ/mol
Flash Point: 205.4±25.0 °C
Index of Refraction: 1.541
Molar Refractivity: 116.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.85
ACD/KOC (pH 5.5): 366.80
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.85
ACD/KOC (pH 7.4): 366.80
Polar Surface Area: 125 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 370.8±5.0 cm3

Click to predict properties on the Chemicalize site


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