ChemSpider 2D Image | Methyl (3beta,12beta,17xi,18xi)-3-acetoxy-12-hydroxyoleanan-28-oate | C33H54O5

Methyl (3β,12β,17ξ,18ξ)-3-acetoxy-12-hydroxyoleanan-28-oate

  • Molecular FormulaC33H54O5
  • Average mass530.779 Da
  • Monoisotopic mass530.397095 Da
  • ChemSpider ID23148524

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3β,12β,17ξ,18ξ)-3-Acétoxy-12-hydroxyoléanan-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (3β,12β,17ξ,18ξ)-3-acetoxy-12-hydroxyoleanan-28-oate [ACD/IUPAC Name]
Methyl-(3β,12β,17ξ,18ξ)-3-acetoxy-12-hydroxyoleanan-28-oat [German] [ACD/IUPAC Name]
Oleanan-28-oic acid, 3-(acetyloxy)-12-hydroxy-, methyl ester, (3β,12β,17ξ,18ξ)- [ACD/Index Name]
10-Acetoxy-14-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-icosahydro-picene-4a-carboxylic acid methyl ester
methyl (6aR,6bR,8aR,10S,12aR,12bR,14R,14aR)-10-(acetyloxy)-14-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-docosahydropicene-4a-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 560.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.9±6.0 kJ/mol
Flash Point: 164.6±22.2 °C
Index of Refraction: 1.533
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.89
ACD/LogD (pH 5.5): 8.42
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 903399.19
ACD/LogD (pH 7.4): 8.42
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 903399.19
Polar Surface Area: 73 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 43.3±5.0 dyne/cm
Molar Volume: 482.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement