Digitoxigenin bisdigitoxoside

CAS Registry Number®

16479-50-8
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CAS Name

Digitoxigenin bisdigitoxoside

Molecular Formula

C35H54O10

Molecular Mass

634.80

Cite this Page

Digitoxigenin bisdigitoxoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16479-50-8 (retrieved 2024-09-19) (CAS RN: 16479-50-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    230-231 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H54O10/c1-18-31(39)26(36)15-30(42-18)45-32-19(2)43-29(16-27(32)37)44-22-7-10-33(3)21(14-22)5-6-25-24(33)8-11-34(4)23(9-12-35(25,34)40)20-13-28(38)41-17-20/h13,18-19,21-27,29-32,36-37,39-40H,5-12,14-17H2,1-4H3/t18-,19-,21-,22+,23-,24+,25-,26+,27+,29+,30+,31-,32-,33+,34-,35+/m1/s1

InChIKey

InChIKey=CERUVRSAHAFOLZ-IQVVVBTISA-N

SMILES

O[C@@]12[C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@@H](O[C@H]5C[C@H](O)[C@H](O[C@H]6C[C@H](O)[C@H](O)[C@@H](C)O6)[C@@H](C)O5)CC4)[H])(CC[C@]1(C)[C@H](CC2)C7=CC(=O)OC7)[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)C4CCC23C

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]-14-hydroxy-, (3β,5β)-
  • 5β-Card-20(22)-enolide, 3β-[[2,6-dideoxy-4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy]-14-hydroxy-
  • Digitoxigenin di(digitoxoside)
  • 5β-Card-20(22)-enolide, 3β,14-dihydroxy-, didigitoxoside
  • D-ribo-Hexopyranoside, digitoxigenin-3 2,6-dideoxy-4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-, β-

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Deleted or Replaced CAS Registry Numbers

5297-03-0, 29660-99-9, 43050-68-6, 82647-32-3