ChemSpider 2D Image | clauemargine A | C27H34O9

clauemargine A

  • Molecular FormulaC27H34O9
  • Average mass502.553 Da
  • Monoisotopic mass502.220276 Da
  • ChemSpider ID32033784

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

[(1R,3aR,5aR,5bR,6aS,9S,9aS,11S,11aR,11bR)-9-(3-Furyl)-11-hydroxy-3,3,5a,9a,11b-pentaméthyl-5,7-dioxotétradécahydro[2]benzofuro[5,4-f]oxiréno[d]isochromén-1-yl]acétate de méthyle [French] [ACD/IUPAC Name]
clauemargine A
Furo[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-1-acetic acid, 9-(3-furanyl)tetradecahydro-11-hydroxy-3,3,5a,9a,11b-pentamethyl-5,7-dioxo-, methyl ester, (1R,3aR,5aR,5bR,6aS,9S,9aS,11S,11aR,11bR)- [ACD/Index Name]
Methyl [(1R,3aR,5aR,5bR,6aS,9S,9aS,11S,11aR,11bR)-9-(3-furyl)-11-hydroxy-3,3,5a,9a,11b-pentamethyl-5,7-dioxotetradecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-1-yl]acetate [ACD/IUPAC Name]
Methyl-[(1R,3aR,5aR,5bR,6aS,9S,9aS,11S,11aR,11bR)-9-(3-furyl)-11-hydroxy-3,3,5a,9a,11b-pentamethyl-5,7-dioxotetradecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-1-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 629.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 334.6±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.09
ACD/KOC (pH 5.5): 219.33
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.09
ACD/KOC (pH 7.4): 219.33
Polar Surface Area: 125 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 371.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement