ChemSpider 2D Image | (13alpha,18beta,21alpha)-21,29-Epoxylup-20(30)-ene-3,6,29-trione | C30H42O4

(13α,18β,21α)-21,29-Epoxylup-20(30)-ene-3,6,29-trione

  • Molecular FormulaC30H42O4
  • Average mass466.652 Da
  • Monoisotopic mass466.308319 Da
  • ChemSpider ID24718737

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(13α,18β,21α)-21,29-Epoxylup-20(30)-en-3,6,29-trion [German] [ACD/IUPAC Name]
(13α,18β,21α)-21,29-Epoxylup-20(30)-ene-3,6,29-trione [ACD/IUPAC Name]
(13α,18β,21α)-21,29-Époxylup-20(30)-ène-3,6,29-trione [French] [ACD/IUPAC Name]
Lup-20(30)-ene-3,6,29-trione, 21,29-epoxy-, (13α,18β,21α)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL519879/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 586.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 248.0±30.2 °C
Index of Refraction: 1.558
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8657.07
ACD/KOC (pH 5.5): 22906.57
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8657.07
ACD/KOC (pH 7.4): 22906.57
Polar Surface Area: 60 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 403.9±5.0 cm3

Click to predict properties on the Chemicalize site


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