Cas no 98891-44-2 (PseudolaricAcidA-O-beta-D-glucopyranoside)

PseudolaricAcidA-O-beta-D-glucopyranoside structure
98891-44-2 structure
Product Name:PseudolaricAcidA-O-beta-D-glucopyranoside
CAS No:98891-44-2
MF:C28H38O11
MW:550.5947
CID:1124045
PubChem ID:44566375
Update Time:2024-10-25

PseudolaricAcidA-O-beta-D-glucopyranoside Chemical and Physical Properties

Names and Identifiers

    • Pseudolaric Acid A-O-beta-D-glucopyranoside
    • Pseudolaricid A-O-β-D-glucopyranoside
    • Pseudolaric Acid A-O-β-D- glucopyranoside
    • Pseudolaric acid A glucoside
    • Pseudolaric acid A-O-
    • A-D-glucopyranoside
    • [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E)-5-[(1R,7S,8S,9R)-7-acetyloxy-
    • DTXSID001276462
    • AC-34823
    • CHEMBL523006
    • CS-0032091
    • AKOS037514803
    • PD196254
    • Pseudolaric Acid A-O-beta-D-glucopyranoside
    • [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E)-5-[(1R,7S,8S,9R)-7-acetyloxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoate
    • PseudolaricacidAbeta-D-glucoside
    • pseudolaric acid A O-beta-d-glucopyranoside
    • MS-30074
    • HY-N4088
    • E88597
    • Pseudolaric acid A O-I(2)-D-glucopyranoside
    • 98891-44-2
    • PseudolaricAcidA-O-beta-D-glucopyranoside
    • MDL: MFCD21363098
    • Inchi: 1S/C28H38O11/c1-15-7-11-27-12-9-19(28(27,13-8-15)38-17(3)30)26(4,39-25(27)35)10-5-6-16(2)23(34)37-24-22(33)21(32)20(31)18(14-29)36-24/h5-7,10,18-22,24,29,31-33H,8-9,11-14H2,1-4H3/b10-5+,16-6+/t18-,19+,20-,21+,22-,24+,26-,27-,28+/m1/s1
    • InChI Key: IVYWRYGMQNKDQB-VHJBJYHKSA-N
    • SMILES: O1C([C@]23CC=C(C)CC[C@@]2([C@]([H])([C@]1(/C=C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)C)CC3)OC(C)=O)=O

Computed Properties

  • Exact Mass: 550.24141202g/mol
  • Monoisotopic Mass: 550.24141202g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 8
  • Complexity: 1100
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 169
  • XLogP3: 0.9

Experimental Properties

  • Color/Form: Powder
  • Density: 1.37±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.61 g/l) (25 o C),

PseudolaricAcidA-O-beta-D-glucopyranoside Pricemore >>

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