ChemSpider 2D Image | Methyl (3beta)-3-acetoxy-27-[(4-hydroxybenzoyl)oxy]lup-20(29)-en-28-oate | C40H56O7

Methyl (3β)-3-acetoxy-27-[(4-hydroxybenzoyl)oxy]lup-20(29)-en-28-oate

  • Molecular FormulaC40H56O7
  • Average mass648.868 Da
  • Monoisotopic mass648.402588 Da
  • ChemSpider ID23253398

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-3-Acétoxy-27-[(4-hydroxybenzoyl)oxy]lup-20(29)-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-(acetyloxy)-27-[(4-hydroxybenzoyl)oxy]-, methyl ester, (3β)- [ACD/Index Name]
methyl (3β)-3-(acetyloxy)-27-[(4-hydroxybenzoyl)oxy]lup-20(29)-en-28-oate
Methyl (3β)-3-acetoxy-27-[(4-hydroxybenzoyl)oxy]lup-20(29)-en-28-oate [ACD/IUPAC Name]
Methyl-(3β)-3-acetoxy-27-[(4-hydroxybenzoyl)oxy]lup-20(29)-en-28-oat [German] [ACD/IUPAC Name]
lup-20(29)-en-28-oic acid, 3β-(acetyloxy)-27-(4-hydroxybenzoyloxy)-, methyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 677.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 197.2±19.4 °C
Index of Refraction: 1.566
Molar Refractivity: 180.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.88
ACD/LogD (pH 5.5): 10.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7188487.00
ACD/LogD (pH 7.4): 10.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6216114.50
Polar Surface Area: 99 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 553.7±5.0 cm3

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