Found 17 results

Search term: MF = 'C_{37}H_{50}O_{5}'
ChemSpider 2D Image | (3beta)-3-(Benzoyloxy)-11-oxoolean-12-en-30-oic acid | C37H50O5

(3β)-3-(Benzoyloxy)-11-oxoolean-12-en-30-oic acid

  • Molecular FormulaC37H50O5
  • Average mass574.790 Da
  • Monoisotopic mass574.365845 Da
  • ChemSpider ID23342068

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-3-(Benzoyloxy)-11-oxoolean-12-en-30-oic acid [ACD/IUPAC Name]
(3β)-3-(Benzoyloxy)-11-oxoolean-12-en-30-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-(benzoyloxy)-11-oxooléan-12-én-30-oïque [French] [ACD/IUPAC Name]
Olean-12-en-30-oic acid, 3-(benzoyloxy)-11-oxo-, (3β)- [ACD/Index Name]
3β-O-Benzoyl-18-β-glycyrrhetinic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL503862/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 200.3±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: 9.49
ACD/LogD (pH 5.5): 8.22
ACD/BCF (pH 5.5): 649383.06
ACD/KOC (pH 5.5): 287408.69
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 7.4): 10292.27
ACD/KOC (pH 7.4): 4555.23
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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