Digitoxigenin

CAS Registry Number®

143-62-4
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CAS Name

Digitoxigenin

Molecular Formula

C23H34O4

Molecular Mass

374.51

Cite this Page

Digitoxigenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=143-62-4 (retrieved 2024-04-28) (CAS RN: 143-62-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    253 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1

InChIKey

InChIKey=XZTUSOXSLKTKJQ-CESUGQOBSA-N

SMILES

O[C@@]12[C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@@H](O)CC4)[H])(CC[C@]1(C)[C@H](CC2)C=5COC(=O)C5)[H])[H]

Canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(O)CCC5(C)C4CCC23C

Other Names for this Substance

  • Card-20(22)-enolide, 3,14-dihydroxy-, (3β,5β)-
  • 5β-Card-20(22)-enolide, 3β,14-dihydroxy-
  • (3β,5β)-3,14-Dihydroxycard-20(22)-enolide
  • Digitoxigenin
  • Δ20:22-3,14,21-Trihydroxynorcholenic acid lactone

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Deleted or Replaced CAS Registry Numbers

898812-68-5, 1345697-31-5

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