Cas no 190317-46-5 (5-Tridecanone,13-[(2R,3R,4S,5R)-3-(b-D-glucopyranosyloxy)-4-hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1-hydroxy-)

5-Tridecanone,13-[(2R,3R,4S,5R)-3-(b-D-glucopyranosyloxy)-4-hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1-hydroxy- structure
190317-46-5 structure
Product Name:5-Tridecanone,13-[(2R,3R,4S,5R)-3-(b-D-glucopyranosyloxy)-4-hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1-hydroxy-
CAS No:190317-46-5
MF:C24H45NO10
MW:507.614808797836
CID:198520
PubChem ID:3083518
Update Time:2025-04-19

5-Tridecanone,13-[(2R,3R,4S,5R)-3-(b-D-glucopyranosyloxy)-4-hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • 5-Tridecanone,13-[(2R,3R,4S,5R)-3-(b-D-glucopyranosyloxy)-4-hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1-hydroxy-
    • (3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(13-hydroxy-9-oxotridecyl)pyrrolidin-3-yl beta-D-glucopyranoside
    • 5-Tridecanone, 13-((2R,3R,4S,5R)-3-(.beta.-D-glucopyranosyloxy)-4-hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl)-1-hydroxy-
    • Broussonetine B
    • 1-hydroxy-13-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3R,4S,5R,6 R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-pyrrolidin-2-yl]tri decan-5-one
    • 4-Hydroxy-5-(hydroxymethyl)-2-(13-hydroxy-9-oxotridecyl)pyrrolidin-3-yl hexopyranoside
    • 190317-46-5
    • 1-hydroxy-13-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-yl]tridecan-5-one
    • DTXSID60940579
    • Inchi: 1S/C24H45NO10/c26-12-8-7-10-15(29)9-5-3-1-2-4-6-11-16-23(19(30)17(13-27)25-16)35-24-22(33)21(32)20(31)18(14-28)34-24/h16-28,30-33H,1-14H2/t16?,17-,18-,19+,20-,21+,22-,23-,24+/m1/s1
    • InChI Key: XRCYKIVYVCRJAM-OWASOCSESA-N
    • SMILES: O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@H]1[C@H]([C@@H](CO)NC1CCCCCCCCC(CCCCO)=O)O

Computed Properties

  • Exact Mass: 507.30445
  • Monoisotopic Mass: 507.304
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 17
  • Complexity: 597
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.4
  • Topological Polar Surface Area: 189?2

Experimental Properties

  • Density: 1.3
  • Boiling Point: 761.2°C at 760 mmHg
  • Flash Point: 414.2°C
  • Refractive Index: 1.568
  • PSA: 189.17
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