Digoxigenin

CAS Registry Number®

1672-46-4

CAS Name

Digoxigenin

Molecular Formula

C23H34O5

Molecular Mass

390.51

Cite this Page

Digoxigenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1672-46-4 (retrieved 2024-11-25) (CAS RN: 1672-46-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    222 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1

InChIKey

InChIKey=SHIBSTMRCDJXLN-KCZCNTNESA-N

SMILES

O[C@@]12[C@@](C)([C@H](CC1)C=3COC(=O)C3)[C@H](O)C[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@H](O)C5)[H])[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Card-20(22)-enolide, 3,12,14-trihydroxy-, (3β,5β,12β)-
  • Digoxigenin
  • 5β-Card-20(22)-enolide, 3β,12β,14-trihydroxy-
  • (3β,5β,12β)-3,12,14-Trihydroxycard-20(22)-enolide
  • Lanadigenin

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Deleted or Replaced CAS Registry Numbers

47561-10-4, 2701571-46-0

CAS INSIGHTSTM
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