Digoxigenin bisdigitoxoside

CAS Registry Number®

5297-05-2
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CAS Name

Digoxigenin bisdigitoxoside

Molecular Formula

C35H54O11

Molecular Mass

650.80

Cite this Page

Digoxigenin bisdigitoxoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5297-05-2 (retrieved 2024-04-25) (CAS RN: 5297-05-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H54O11/c1-17-31(40)25(36)14-30(43-17)46-32-18(2)44-29(15-26(32)37)45-21-7-9-33(3)20(12-21)5-6-23-24(33)13-27(38)34(4)22(8-10-35(23,34)41)19-11-28(39)42-16-19/h11,17-18,20-27,29-32,36-38,40-41H,5-10,12-16H2,1-4H3/t17-,18-,20-,21+,22-,23-,24+,25+,26+,27-,29+,30+,31-,32-,33+,34+,35+/m1/s1

InChIKey

InChIKey=NTSBMKIZRSBFTA-AIDOXSFESA-N

SMILES

O[C@@]12[C@@](C)([C@H](CC1)C3=CC(=O)OC3)[C@H](O)C[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@H](O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@H](O)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)C5)[H])[H])[H]

Canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(C)C(O)C(O)C7)C(O)C6)CCC5(C)C4CC(O)C23C

Other Names for this Substance

  • Card-20(22)-enolide, 3-[[2,6-dideoxy-4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy]-12,14-dihydroxy-, (3β,5β,12β)-
  • 5β-Card-20(22)-enolide, 3β-[[2,6-dideoxy-4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy]-12β,14-dihydroxy-
  • 5β-Card-20(22)-enolide, 3β,12β,14-trihydroxy-, didigitoxoside
  • Digoxigenin, didigitoxoside
  • (3β,5β,12β)-3-[[2,6-Dideoxy-4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy]-12,14-dihydroxycard-20(22)-enolide

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Deleted or Replaced CAS Registry Numbers

418-03-1, 33568-93-3, 78887-59-9

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