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ChemSpider 2D Image | 3-[(3-Carboxypropanoyl)oxy]-11-oxoolean-12-en-29-oic acid | C34H50O7

3-[(3-Carboxypropanoyl)oxy]-11-oxoolean-12-en-29-oic acid

  • Molecular FormulaC34H50O7
  • Average mass570.757 Da
  • Monoisotopic mass570.355652 Da
  • ChemSpider ID2463

More details:





Date of deprecation: 16:16, Jul 7, 2015
Reason for deprecation: Deprecate record: 9 undefined stereocentres

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

3-[(3-Carboxypropanoyl)oxy]-11-oxoolean-12-en-29-oic acid [ACD/IUPAC Name]
3-[(3-Carboxypropanoyl)oxy]-11-oxoolean-12-en-29-säure [German] [ACD/IUPAC Name]
Acide 3-[(3-carboxypropanoyl)oxy]-11-oxooléan-12-én-29-oïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono(29-hydroxy-11,29-dioxoolean-12-en-3-yl) ester [ACD/Index Name]
5697-56-3 [RN]
Carbenoxolone [INN] [Wiki]
  • Experimental Physico-chemical Properties

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 687.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 109.8±6.0 kJ/mol
Flash Point: 211.6±25.0 °C
Index of Refraction: 1.562
Molar Refractivity: 154.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.08
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 1121.74
ACD/KOC (pH 5.5): 1444.80
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 2.21
ACD/KOC (pH 7.4): 2.85
Polar Surface Area: 118 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 475.5±5.0 cm3

Click to predict properties on the Chemicalize site






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