ChemSpider 2D Image | 3beta,6beta,23-trihydroxyolean-12-en-28-oic acid | C30H48O5

3β,6β,23-trihydroxyolean-12-en-28-oic acid

  • Molecular FormulaC30H48O5
  • Average mass488.699 Da
  • Monoisotopic mass488.350189 Da
  • ChemSpider ID28424321

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,6β)-3,6,23-Trihydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β,6β)-3,6,23-Trihydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
3β,6β,23-trihydroxyolean-12-en-28-oic acid
Acide (3β,6β)-3,6,23-trihydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3,6,23-trihydroxy-, (3β,6β)- [ACD/Index Name]
[152243-70-4] [RN]
152243-70-4 [RN]
MFCD20275051
Uncargenin C
  • Miscellaneous

    • Chemical Class:

      A pentacyclic triterpenoid that is oleanolic acid substituted by additional hydroxy groups at positions 6 and 23. It has been isolated from <ital>Kalopanax pictus</ital>. ChEBI CHEBI:69369
      A pentacyclic triterpenoid that is oleanolic acid substituted by additional hydroxy groups at positions 6 and 23. It has been isolated from Kalopanax pictus. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69369

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

Density: 1.2±0.1 g/cm3
Boiling Point: 621.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 343.7±28.0 °C
Index of Refraction: 1.581
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 2588.61
ACD/KOC (pH 5.5): 5196.97
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 40.69
ACD/KOC (pH 7.4): 81.69
Polar Surface Area: 98 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 410.0±5.0 cm3

Click to predict properties on the Chemicalize site


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