ChemSpider 2D Image | 11alpha-hydroxyasiatic acid | C30H48O6

11α-hydroxyasiatic acid

  • Molecular FormulaC30H48O6
  • Average mass504.698 Da
  • Monoisotopic mass504.345093 Da
  • ChemSpider ID29368024

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2α,3β,11α)-2,3,11,23-Tetrahydroxyurs-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3β,11α)-2,3,11,23-Tetrahydroxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
11α-hydroxyasiatic acid
1268696-96-3 [RN]
Acide (2α,3β,11α)-2,3,11,23-tétrahydroxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 2,3,11,23-tetrahydroxy-, (2α,3β,11α)- [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      A pentacyclic triterpenoid that is the 11<stereo>alpha</stereo>-hydroxy derivative of asiatic acid. Isolated from the methanolic extract of the leaves of <ital>Symplocos lancifolia</ital>, it exhibit s antibacterial activity. ChEBI CHEBI:68380
      A pentacyclic triterpenoid that is the 11alpha-hydroxy derivative of asiatic acid. Isolated from the methanolic extract of the leaves of Symplocos lancifolia, it exhibit; s antibacterial activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68380
      A pentacyclic triterpenoid that is the 11alpha-hydroxy derivative of asiatic acid. Isolated from the methanolic extract of the leaves of Symplocos lancifolia, it exhibits antibacterial activity. ChEBI CHEBI:68380

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

Density: 1.2±0.1 g/cm3
Boiling Point: 644.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.9±6.0 kJ/mol
Flash Point: 357.5±28.0 °C
Index of Refraction: 1.591
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 271.18
ACD/KOC (pH 5.5): 1022.99
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 4.26
ACD/KOC (pH 7.4): 16.08
Polar Surface Area: 118 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 408.7±5.0 cm3

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