(5β,12β)-12,14-Dihydroxy-3-oxocard-20(22)-enolide

CAS Registry Number®

4442-17-5
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CAS Name

(5β,12β)-12,14-Dihydroxy-3-oxocard-20(22)-enolide

Molecular Formula

C23H32O5

Molecular Mass

388.50

Cite this Page

(5β,12β)-12,14-Dihydroxy-3-oxocard-20(22)-enolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4442-17-5 (retrieved 2024-07-20) (CAS RN: 4442-17-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    251-254 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H32O5/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/h9,14,16-19,25,27H,3-8,10-12H2,1-2H3/t14-,16-,17-,18+,19-,21+,22+,23+/m1/s1

InChIKey

InChIKey=POWMMMXVDBMFMP-QPMAGJLNSA-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)CCC(=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, 12,14-dihydroxy-3-oxo-, (5β,12β)-
  • 5β-Card-20(22)-enolide, 12β,14-dihydroxy-3-oxo-
  • (5β,12β)-12,14-Dihydroxy-3-oxocard-20(22)-enolide
  • Digoxigenin, 3-dehydro-
  • 3-Dehydrodigoxigenin