ChemSpider 2D Image | (1R,3R,5R,6S,10R,11S)-3-Methyl-9-methylene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.0~3,5~.0~6,10~]hexadec-13(16)-en-11-yl methacrylate | C19H20O7

(1R,3R,5R,6S,10R,11S)-3-Methyl-9-methylene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl methacrylate

  • Molecular FormulaC19H20O7
  • Average mass360.358 Da
  • Monoisotopic mass360.120911 Da
  • ChemSpider ID23311194

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1aR,1bS,4aR,5S,10R,11aR)-11a-methyl-4-methylidene-3,8-dioxodecahydro-10,7-(metheno)furo[2,3-f]oxireno[d]oxacycloundecin-5(8H)-yl 2-methylprop-2-enoate
(1R,3R,5R,6S,10R,11S)-3-Methyl-9-methylen-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-ylmethacrylat [German] [ACD/IUPAC Name]
(1R,3R,5R,6S,10R,11S)-3-Methyl-9-methylene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl methacrylate [ACD/IUPAC Name]
2-Propenoic acid, 2-methyl-, (1aR,1bS,4aR,5S,10R,11aR)-1a,1b,3,4,4a,5,6,10,11,11a-decahydro-11a-methyl-4-methylene-3,8-dioxo-8H-10,7-methenofuro[2,3-f]oxireno[d]oxacycloundecin-5-yl ester [ACD/Index Name]
Méthacrylate de (1R,3R,5R,6S,10R,11S)-3-méthyl-9-méthylène-8,14-dioxo-4,7,15-trioxatétracyclo[11.2.1.03,5.06,10]hexadéc-13(16)-én-11-yle [French] [ACD/IUPAC Name]
(1R,3R,5R,6S,10R,11S)-3-methyl-9-methylidene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl 2-methylprop-2-enoate
13017-11-3 [RN]
elephantopin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL400927/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 593.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 262.3±30.2 °C
Index of Refraction: 1.569
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 64.81
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 64.81
Polar Surface Area: 91 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 268.2±5.0 cm3

Click to predict properties on the Chemicalize site


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