ChemSpider 2D Image | fomitoside F | C37H58O8

fomitoside F

  • Molecular FormulaC37H58O8
  • Average mass630.852 Da
  • Monoisotopic mass630.413147 Da
  • ChemSpider ID9552054

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

1-O-[(3α)-3-Acetoxy-21-oxolanosta-8,24-dien-21-yl]-β-D-xylopyranose [ACD/IUPAC Name]
1-O-[(3α)-3-Acetoxy-21-oxolanosta-8,24-dien-21-yl]-β-D-xylopyranose [German] [ACD/IUPAC Name]
1-O-[(3α)-3-Acétoxy-21-oxolanosta-8,24-dién-21-yl]-β-D-xylopyranose [French] [ACD/IUPAC Name]
fomitoside F
β-D-Xylopyranose, 1-O-[(3α)-3-(acetyloxy)-21-oxolanosta-8,24-dien-21-yl]- [ACD/Index Name]
3α-acetoxylanosta-8,24-dien-21-oic acid 21-O-β-D-xylopyranoside
  • Miscellaneous

    • Chemical Class:

      A triterpene glycoside that consists of lanost-8,24-dien-21-oic acid substituted at by a <stereo>alpha</stereo>-acetyloxy group at position 3 and a <stereo>beta</stereo>-<stereo>D</stereo>-xylopyranos yl 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:65904
      A triterpene glycoside that consists of lanost-8,24-dien-21-oic acid substituted at by a alpha-acetyloxy group at position 3 and a beta-D-xylopyranos; yl moiety at position 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:65904
      A triterpene glycoside that consists of lanost-8,24-dien-21-oic acid substituted at by a alpha-acetyloxy group at position 3 and a beta-D-xylopyranosyl moiety at position 21 via a glycosidic linkage. Isolated from the fruit body of Fomitopsis pinicola, it exhibits inhibitory activity against COX-1 and COX-2. ChEBI CHEBI:65904

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

Density: 1.2±0.1 g/cm3
Boiling Point: 681.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.4±6.0 kJ/mol
Flash Point: 200.7±25.0 °C
Index of Refraction: 1.559
Molar Refractivity: 172.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.27
ACD/LogD (pH 5.5): 7.79
ACD/BCF (pH 5.5): 493073.47
ACD/KOC (pH 5.5): 413578.63
ACD/LogD (pH 7.4): 7.79
ACD/BCF (pH 7.4): 493068.59
ACD/KOC (pH 7.4): 413574.53
Polar Surface Area: 123 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 533.8±5.0 cm3

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