Cas no 73987-01-6 (Card-20(22)-enolide,3-[(O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-16-(formyloxy)-14-hydroxy-, (3b,5b)- (9CI))

Card-20(22)-enolide,3-[(O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-16-(formyloxy)-14-hydroxy-, (3b,5b)- (9CI) structure
73987-01-6 structure
Product Name:Card-20(22)-enolide,3-[(O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-16-(formyloxy)-14-hydroxy-, (3b,5b)- (9CI)
CAS No:73987-01-6
MF:C42H64O15
MW:808.948575019836
CID:567041
PubChem ID:3057237
Update Time:2025-04-19

Card-20(22)-enolide,3-[(O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-16-(formyloxy)-14-hydroxy-, (3b,5b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • LogP
    • 16-Formyldigitalinum verum
    • 4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-16-(formyloxy)-14-hydroxy-, (3b,5b)- (9CI)
    • 4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1&reg
    • 73987-01-6
    • Digitoxin, 16-formate
    • Card-20(22)-enolide,3-[(O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-16-(formyloxy)-14-hydroxy-, (3b,5b)- (9CI)
    • Inchi： 1S/C42H64O15/c1-20-37(47)28(44)14-33(52-20)56-30-16-35(54-22(3)39(30)57-34-15-29(45)38(48)21(2)53-34)55-25-8-10-40(4)24(13-25)6-7-27-26(40)9-11-41(5)36(23-12-32(46)50-18-23)31(51-19-43)17-42(27,41)49/h12,19-22,24-31,33-39,44-45,47-49H,6-11,13-18H2,1-5H3/t20-,21-,22-,24-,25+,26+,27-,28+,29+,30+,31?,33-,34-,35-,36+,37-,38-,39-,40+,41-,42?/m1/s1
    • InChI Key： IMIMKPWRAQJJNB-KCTVDHCLSA-N
    • SMILES： OC12CC([C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](C[C@H]3CC[C@@H]21)O[C@@H]1C[C@@H]([C@@H]([C@@H](C)O1)O[C@@H]1C[C@@H]([C@@H]([C@@H](C)O1)O)O)O[C@@H]1C[C@@H]([C@@H]([C@@H](C)O1)O)O)OC=O

Computed Properties

  • Exact Mass: 808.42452133g/mol
  • Monoisotopic Mass: 808.42452133g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 57
  • Rotatable Bond Count: 9
  • Complexity: 1510
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 19
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 209?2

Card-20(22)-enolide,3-[(O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-16-(formyloxy)-14-hydroxy-, (3b,5b)- (9CI) Related Literature

Related Categories

73987-01-6 (Card-20(22)-enolide,3-[(O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-16-(formyloxy)-14-hydroxy-, (3b,5b)- (9CI)) Related Products

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