ChemSpider 2D Image | fatsicarpain A | C30H46O4

fatsicarpain A

  • Molecular FormulaC30H46O4
  • Average mass470.684 Da
  • Monoisotopic mass470.339600 Da
  • ChemSpider ID26620757
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(3α)-3,23-Dihydroxyoleana-11,13(18)-dien-28-oic acid [ACD/IUPAC Name]
(3α)-3,23-Dihydroxyoleana-11,13(18)-dien-28-säure [German] [ACD/IUPAC Name]
Acide (3α)-3,23-dihydroxyoléana-11,13(18)-dién-28-oïque [French] [ACD/IUPAC Name]
fatsicarpain A
Oleana-11,13(18)-dien-28-oic acid, 3,23-dihydroxy-, (3α)- [ACD/Index Name]
1318005-59-2 [RN]
rel-(3α)-3,23-dihydroxyoleana-11,13(18)-dien-28-oic acid
  • Miscellaneous
    • Chemical Class:

      A pentacyclic triterpenoid that is oleana-11,13(18)-diene substituted by hydroxy groups at positions 3 and 23 and a carboxy group at position 28 (the 3<stereo>alpha</stereo> stereoisomer). Isolated fr om the leaves and twigs of <ital>Fatsia polycarpa</ital>, it exhibits antibacterial and anti-HBV activities. ChEBI CHEBI:69216

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

Density: 1.2±0.1 g/cm3
Boiling Point: 600.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.5±6.0 kJ/mol
Flash Point: 330.9±28.0 °C
Index of Refraction: 1.581
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 16040.15
ACD/KOC (pH 5.5): 17453.43
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 254.13
ACD/KOC (pH 7.4): 276.52
Polar Surface Area: 78 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 404.7±5.0 cm3

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