ChemSpider 2D Image | (1R,2E,8S,10R,11S)-6-(Acetoxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0~3,7~]tetradeca-2,6-dien-8-yl methacrylate | C21H26O8

(1R,2E,8S,10R,11S)-6-(Acetoxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl methacrylate

  • Molecular FormulaC21H26O8
  • Average mass406.426 Da
  • Monoisotopic mass406.162781 Da
  • ChemSpider ID28517479

  • 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

(1R,2E,8S,10R,11S)-6-(Acetoxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl methacrylate [ACD/IUPAC Name]
(1R,2E,8S,10R,11S)-6-(Acetoxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-ylmethacrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 2-methyl-, (4S,6R,7S,10R,11E)-3-[(acetyloxy)methyl]-2,4,5,6,7,8,9,10-octahydro-7-hydroxy-6,10-dimethyl-2-oxo-7,10-epoxycyclodeca[b]furan-4-yl ester [ACD/Index Name]
Méthacrylate de (1R,2E,8S,10R,11S)-6-(acétoxyméthyl)-11-hydroxy-1,10-diméthyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tétradéca-2,6-dién-8-yle [French] [ACD/IUPAC Name]
[(1R,2E,8S,10R,11S)-6-(acetyloxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate
67667-71-4 [RN]
8α-(2-Methylacryloyloxy)hirsutinolide 13-O-acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.5±6.0 kJ/mol
Flash Point: 200.1±23.6 °C
Index of Refraction: 1.556
Molar Refractivity: 100.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.23
ACD/KOC (pH 5.5): 330.71
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.23
ACD/KOC (pH 7.4): 330.71
Polar Surface Area: 108 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 313.1±5.0 cm3

Click to predict properties on the Chemicalize site


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