Digoxigenin monodigitoxoside

CAS Registry Number®

5352-63-6
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CAS Name

Digoxigenin monodigitoxoside

Molecular Formula

C29H44O8

Molecular Mass

520.65

Cite this Page

Digoxigenin monodigitoxoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5352-63-6 (retrieved 2024-05-06) (CAS RN: 5352-63-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212-215 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H44O8/c1-15-26(33)22(30)13-25(36-15)37-18-6-8-27(2)17(11-18)4-5-20-21(27)12-23(31)28(3)19(7-9-29(20,28)34)16-10-24(32)35-14-16/h10,15,17-23,25-26,30-31,33-34H,4-9,11-14H2,1-3H3/t15-,17-,18+,19-,20-,21+,22+,23-,25+,26-,27+,28+,29+/m1/s1

InChIKey

InChIKey=JFSXBMIFXZFKHD-ZDDLGXCGSA-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](C)O6)C5)[H])[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3β,5β,12β)-
  • 5β-Card-20(22)-enolide, 3β-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12β,14-dihydroxy-
  • Digoxigenin digitoxoside
  • 5β-Card-20(22)-enolide, 3β-(digitoxosyloxy)-12β,14-dihydroxy-
  • D-ribo-Hexopyranoside, digoxigenin-3 2,6-dideoxy-, β-

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Deleted or Replaced CAS Registry Numbers

100634-15-9, 33568-94-4

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