ChemSpider 2D Image | (1aR,3S,4Z,5aR,8aR,9R,10aR)-3-Acetoxy-4,10a-dimethyl-8-methylene-7-oxo-1a,2,3,5a,7,8,8a,9,10,10a-decahydrooxireno[5,6]cyclodeca[1,2-b]furan-9-yl (2E)-2-(hydroxymethyl)-2-butenoate | C22H28O8

(1aR,3S,4Z,5aR,8aR,9R,10aR)-3-Acetoxy-4,10a-dimethyl-8-methylene-7-oxo-1a,2,3,5a,7,8,8a,9,10,10a-decahydrooxireno[5,6]cyclodeca[1,2-b]furan-9-yl (2E)-2-(hydroxymethyl)-2-butenoate

  • Molecular FormulaC22H28O8
  • Average mass420.453 Da
  • Monoisotopic mass420.178406 Da
  • ChemSpider ID23320091

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1aR,3S,4Z,5aR,8aR,9R,10aR)-3-(acetyloxy)-4,10a-dimethyl-8-methylidene-7-oxo-1a,2,3,5a,7,8,8a,9,10,10a-decahydrooxireno[5,6]cyclodeca[1,2-b]furan-9-yl (2E)-2-(hydroxymethyl)but-2-enoate
(1aR,3S,4Z,5aR,8aR,9R,10aR)-3-Acetoxy-4,10a-dimethyl-8-methylen-7-oxo-1a,2,3,5a,7,8,8a,9,10,10a-decahydrooxireno[5,6]cyclodeca[1,2-b]furan-9-yl-(2E)-2-(hydroxymethyl)-2-butenoat [German] [ACD/IUPAC Name]
(1aR,3S,4Z,5aR,8aR,9R,10aR)-3-Acetoxy-4,10a-dimethyl-8-methylene-7-oxo-1a,2,3,5a,7,8,8a,9,10,10a-decahydrooxireno[5,6]cyclodeca[1,2-b]furan-9-yl (2E)-2-(hydroxymethyl)-2-butenoate [ACD/IUPAC Name]
(2E)-2-(Hydroxyméthyl)-2-buténoate de (1aR,3S,4Z,5aR,8aR,9R,10aR)-3-acétoxy-4,10a-diméthyl-8-méthylène-7-oxo-1a,2,3,5a,7,8,8a,9,10,10a-décahydrooxiréno[5,6]cyclodéca[1,2-b]furan-9-yle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-(hydroxymethyl)-, (1aR,3S,4Z,5aR,8aR,9R,10aR)-3-(acetyloxy)-1a,2,3,5a,7,8,8a,9,10,10a-decahydro-4,10a-dimethyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl ester, (2E)- [ACD/Index Name]
((1aR,3R,3aR,6aR,9S,10aR,Z)-9-acetoxy-1a,8-dimethyl-4-methylene-5-oxo-1a,2,3,3a,4,5,6a,9,10,10a-decahydro-11-oxa-bicyclo[8.1.0]undeca-1(10),4-dieno[6,7-b]furan-3-yl) 2-(hydroxymethyl)but-2-enoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 582.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.0±6.0 kJ/mol
Flash Point: 198.5±23.6 °C
Index of Refraction: 1.550
Molar Refractivity: 105.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.90
ACD/KOC (pH 5.5): 263.30
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.90
ACD/KOC (pH 7.4): 263.30
Polar Surface Area: 112 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 330.8±5.0 cm3

Click to predict properties on the Chemicalize site


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