Found 1 result

Search term: HJMFZRRKMVZJCX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2alpha,3beta-dihydroxyolean-13(18)-en-28-oic acid | C30H48O4

2α,3β-dihydroxyolean-13(18)-en-28-oic acid

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID26346442

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2α,3β)-2,3-Dihydroxyolean-13(18)-en-28-oic acid [ACD/IUPAC Name]
(2α,3β)-2,3-Dihydroxyolean-13(18)-en-28-säure [German] [ACD/IUPAC Name]
2α,3β-dihydroxyolean-13(18)-en-28-oic acid
Acide (2α,3β)-2,3-dihydroxyoléan-13(18)-én-28-oïque [French] [ACD/IUPAC Name]
Olean-13(18)-en-28-oic acid, 2,3-dihydroxy-, (2α,3β)- [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      A pentacyclic triterpenoid that is olean-13(18)-en-28-oic acid substituted by hydroxy groups at positions 2 and 3 (the 2<stereo>alpha</stereo>,3<stereo>beta</stereo>-stereoisomer). It has been isolat ed from the leaves of <ital>Rosa laevigata</ital>. ChEBI CHEBI:67911
      A pentacyclic triterpenoid that is olean-13(18)-en-28-oic acid substituted by hydroxy groups at positions 2 and 3 (the 2alpha,3beta-stereoisomer). It has been isolat; ed from the leaves of Rosa laevi gata. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67911
      A pentacyclic triterpenoid that is olean-13(18)-en-28-oic acid substituted by hydroxy groups at positions 2 and 3 (the 2alpha,3beta-stereoisomer). It has been isolated from the leaves of Rosa laeviga ta. ChEBI CHEBI:67911

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

Density: 1.1±0.1 g/cm3
Boiling Point: 568.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 311.9±26.6 °C
Index of Refraction: 1.568
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 6.88
ACD/BCF (pH 5.5): 58949.18
ACD/KOC (pH 5.5): 48539.33
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 926.53
ACD/KOC (pH 7.4): 762.91
Polar Surface Area: 78 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 412.0±5.0 cm3

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