ChemSpider 2D Image | fomitoside E | C37H58O9

fomitoside E

  • Molecular FormulaC37H58O9
  • Average mass646.851 Da
  • Monoisotopic mass646.408081 Da
  • ChemSpider ID9333133

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

1-O-[(3α,23E)-3-Acetoxy-25-hydroxy-21-oxolanosta-8,23-dien-21-yl]-β-D-xylopyranose [ACD/IUPAC Name]
1-O-[(3α,23E)-3-Acetoxy-25-hydroxy-21-oxolanosta-8,23-dien-21-yl]-β-D-xylopyranose [German] [ACD/IUPAC Name]
1-O-[(3α,23E)-3-Acétoxy-25-hydroxy-21-oxolanosta-8,23-dién-21-yl]-β-D-xylopyranose [French] [ACD/IUPAC Name]
fomitoside E
β-D-Xylopyranose, 1-O-[(3α,23E)-3-(acetyloxy)-25-hydroxy-21-oxolanosta-8,23-dien-21-yl]- [ACD/Index Name]
25-hydroxy-3α-acetoxylanost-8,23-dien-21-oicacid 21-O-β-D-xylopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL447689/
  • Miscellaneous

    • Chemical Class:

      A triterpene glycoside that consists of lanost-8,23-dien-21-oic acid substituted at by a <stereo>alpha</stereo>-acetyloxy group at position 3, a hydroxy group at position 25 and a <stereo>beta</stereo >-<stereo>D</stereo>-xylopyranosyl moiety at position 21 via a glycosidic linkage. Isolated from the fruit body of <ital>Fomitopsis pinicola</ital>, it exhibits inhibitory activity against COX-1 and COX-2. ChEBI CHEBI:65903
      A triterpene glycoside that consists of lanost-8,23-dien-21-oic acid substituted at by a alpha-acetyloxy group at position 3, a hydroxy group at position 25 and a beta-D-xylopyranosyl moiety at positi on 21 via a glycosidic linkage. Isolated from the fruit body of Fomitopsis pinicola, it exhibits inhibitory activity against COX-1 and COX-2. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65903, CHEBI:65903

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

Density: 1.2±0.1 g/cm3
Boiling Point: 696.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.6±6.0 kJ/mol
Flash Point: 205.1±25.0 °C
Index of Refraction: 1.568
Molar Refractivity: 174.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 48000.03
ACD/KOC (pH 5.5): 78057.57
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 47999.50
ACD/KOC (pH 7.4): 78056.72
Polar Surface Area: 143 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 531.5±5.0 cm3

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