ChemSpider 2D Image | (1S,2R,4R,10R,11S,13S,14S)-7-Formyl-4-isopropenyl-11-methyl-16-oxo-15,17,18-trioxatetracyclo[11.2.2.1~6,9~.0~1,14~]octadeca-6,8-diene-2,10,11-triyl triacetate | C26H30O11

(1S,2R,4R,10R,11S,13S,14S)-7-Formyl-4-isopropenyl-11-methyl-16-oxo-15,17,18-trioxatetracyclo[11.2.2.16,9.01,14]octadeca-6,8-diene-2,10,11-triyl triacetate

  • Molecular FormulaC26H30O11
  • Average mass518.510 Da
  • Monoisotopic mass518.178833 Da
  • ChemSpider ID17257391

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,2R,4R,10R,11S,13S,14S)-7-Formyl-4-isopropenyl-11-methyl-16-oxo-15,17,18-trioxatetracyclo[11.2.2.16,9.01,14]octadeca-6,8-dien-2,10,11-triyl-triacetat [German] [ACD/IUPAC Name]
(1S,2R,4R,10R,11S,13S,14S)-7-Formyl-4-isopropenyl-11-methyl-16-oxo-15,17,18-trioxatetracyclo[11.2.2.16,9.01,14]octadeca-6,8-diene-2,10,11-triyl triacetate [ACD/IUPAC Name]
15,17,18-Trioxatetracyclo[11.2.2.16,9.01,14]octadeca-6,8-diene-7-carboxaldehyde, 2,10,11-tris(acetyloxy)-11-methyl-4-(1-methylethenyl)-16-oxo-, (1S,2R,4R,10R,11S,13S,14S)- [ACD/Index Name]
Triacétate de (1S,2R,4R,10R,11S,13S,14S)-7-formyl-4-isopropényl-11-méthyl-16-oxo-15,17,18-trioxatétracyclo[11.2.2.16,9.01,14]octadéca-6,8-diène-2,10,11-triyle [French] [ACD/IUPAC Name]
(1S,2R,4R,10R,11S,13S,14S)-7-formyl-11-methyl-16-oxo-4-(prop-1-en-2-yl)-15,17,18-trioxatetracyclo[11.2.2.16,9.01,14]octadeca-6,8-diene-2,10,11-triyl triacetate
7-epi-7,8-Di-O-acetyllophodiol A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517617/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 545.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.7±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 123.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.40
ACD/KOC (pH 5.5): 391.43
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.40
ACD/KOC (pH 7.4): 391.43
Polar Surface Area: 148 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 387.3±5.0 cm3

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