(3β,5β,7β)-3,7,14-Trihydroxycard-20(22)-enolide

CAS Registry Number®

1173-21-3
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CAS Name

(3β,5β,7β)-3,7,14-Trihydroxycard-20(22)-enolide

Molecular Formula

C23H34O5

Molecular Mass

390.51

Cite this Page

(3β,5β,7β)-3,7,14-Trihydroxycard-20(22)-enolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1173-21-3 (retrieved 2024-05-18) (CAS RN: 1173-21-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    267-272 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H34O5/c1-21-6-3-15(24)10-14(21)11-18(25)20-17(21)4-7-22(2)16(5-8-23(20,22)27)13-9-19(26)28-12-13/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15-,16+,17-,18-,20-,21-,22+,23-/m0/s1

InChIKey

InChIKey=JDQWKADNJIUBND-ANHVKYHNSA-N

SMILES

O[C@@]12[C@]3([C@@]([C@]4(C)[C@](C[C@@H]3O)(C[C@@H](O)CC4)[H])(CC[C@]1(C)[C@H](CC2)C5=CC(=O)OC5)[H])[H]

Canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4C(O)CC5CC(O)CCC5(C)C4CCC23C

Other Names for this Substance

  • Card-20(22)-enolide, 3,7,14-trihydroxy-, (3β,5β,7β)-
  • 5β-Card-20(22)-enolide, 3β,7β,14-trihydroxy-
  • Digitoxigenin, 7β-hydroxy-
  • (3β,5β,7β)-3,7,14-Trihydroxycard-20(22)-enolide
  • 7β-Hydroxydigitoxigenin

Deleted or Replaced CAS Registry Numbers

21857-77-2

CAS INSIGHTSTM
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