ChemSpider 2D Image | Methyl (3beta,18beta)-3-acetoxy-27-(benzoyloxy)lup-20(29)-en-28-oate | C40H56O6

Methyl (3β,18β)-3-acetoxy-27-(benzoyloxy)lup-20(29)-en-28-oate

  • Molecular FormulaC40H56O6
  • Average mass632.869 Da
  • Monoisotopic mass632.407715 Da
  • ChemSpider ID113611

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,18β)-3-Acétoxy-27-(benzoyloxy)lup-20(29)-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-(acetyloxy)-27-(benzoyloxy)-, methyl ester, (3β,18β)- [ACD/Index Name]
Methyl (3β,18β)-3-acetoxy-27-(benzoyloxy)lup-20(29)-en-28-oate [ACD/IUPAC Name]
Methyl-(3β,18β)-3-acetoxy-27-(benzoyloxy)lup-20(29)-en-28-oat [German] [ACD/IUPAC Name]
102637-02-5 [RN]
Lup-20(29)-en-28-oic acid, 3-(acetyloxy)-27-(benzoyloxy)-, methyl ester, (3β)- [ACD/Index Name]
Methyl helicterate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 645.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 260.5±24.6 °C
Index of Refraction: 1.556
Molar Refractivity: 179.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 11.21
ACD/LogD (pH 5.5): 10.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9622223.00
ACD/LogD (pH 7.4): 10.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9622223.00
Polar Surface Area: 79 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 557.0±5.0 cm3

Click to predict properties on the Chemicalize site


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