ChemSpider 2D Image | 16alpha-hydroxygypsogenic acid | C30H46O6

16α-hydroxygypsogenic acid

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID10214091

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,16α)-3,16-Dihydroxyolean-12-en-23,28-disäure [German] [ACD/IUPAC Name]
(3β,16α)-3,16-Dihydroxyolean-12-ene-23,28-dioic acid [ACD/IUPAC Name]
16α-hydroxygypsogenic acid
Acide (3β,16α)-3,16-dihydroxyoléan-12-ène-23,28-dioïque [French] [ACD/IUPAC Name]
Olean-12-ene-23,28-dioic acid, 3,16-dihydroxy-, (3β,16α)- [ACD/Index Name]
16α-hydroxygypsogenic acidid
3β,16α-dihydroxyolean-12-ene-23,28-dioic acid
  • Miscellaneous

    • Chemical Class:

      A pentacyclic triterpenoid that is olean-12-ene substituted by carboxy groups at positions 23 and 28 and hydroxy groups at positions 3 and 16 ( the 3<stereo>beta</stereo>,16<stereo>alpha</stereo> ster eoisomer). ChEBI CHEBI:71529
      A pentacyclic triterpenoid that is olean-12-ene substituted by carboxy groups at positions 23 and 28 and hydroxy groups at positions 3 and 16 ( the 3beta,16alpha ster; eoisomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71529
      A pentacyclic triterpenoid that is olean-12-ene substituted by carboxy groups at positions 23 and 28 and hydroxy groups at positions 3 and 16 ( the 3beta,16alpha stereoisomer). ChEBI CHEBI:71529

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

Density: 1.2±0.1 g/cm3
Boiling Point: 652.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±6.0 kJ/mol
Flash Point: 362.1±28.0 °C
Index of Refraction: 1.587
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 90.06
ACD/KOC (pH 5.5): 181.95
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 406.8±5.0 cm3

Click to predict properties on the Chemicalize site


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