Found 17 results

Search term: MF = 'C_{37}H_{50}O_{5}'
ChemSpider 2D Image | (22beta)-22-(Benzoyloxy)-3-oxoolean-12-en-28-oic acid | C37H50O5

(22β)-22-(Benzoyloxy)-3-oxoolean-12-en-28-oic acid

  • Molecular FormulaC37H50O5
  • Average mass574.790 Da
  • Monoisotopic mass574.365845 Da
  • ChemSpider ID23329026

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(22β)-22-(Benzoyloxy)-3-oxoolean-12-en-28-oic acid [ACD/IUPAC Name]
(22β)-22-(Benzoyloxy)-3-oxoolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (22β)-22-(benzoyloxy)-3-oxooléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 22-(benzoyloxy)-3-oxo-, (22β)- [ACD/Index Name]
22β-Benzoyloxy-3-oxoolean-12-en-28-oic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL501305/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 657.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 198.6±25.0 °C
Index of Refraction: 1.579
Molar Refractivity: 163.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.89
ACD/LogD (pH 5.5): 8.13
ACD/BCF (pH 5.5): 422404.56
ACD/KOC (pH 5.5): 154894.95
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 7163.63
ACD/KOC (pH 7.4): 2626.89
Polar Surface Area: 81 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 491.5±5.0 cm3

Click to predict properties on the Chemicalize site


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