Gitoxigenin

CAS Registry Number®

545-26-6

CAS Name

Gitoxigenin

Molecular Formula

C23H34O5

Molecular Mass

390.51

Cite this Page

Gitoxigenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=545-26-6 (retrieved 2024-11-22) (CAS RN: 545-26-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    234 °C

Source(s)

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

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=PVAMXWLZJKTXFW-VQMOFDJESA-N

SMILES

C[C@@]12[C@@](O)([C@]3([C@](CC1)([C@]4(C)[C@](CC3)(C[C@@H](O)CC4)[H])[H])[H])C[C@H](O)[C@@H]2C=5COC(=O)C5

Canonical SMILES

O=C1OCC(=C1)C2C(O)CC3(O)C4CCC5CC(O)CCC5(C)C4CCC23C

Other Names for this Substance

  • Card-20(22)-enolide, 3,14,16-trihydroxy-, (3β,5β,16β)-
  • 5β-Card-20(22)-enolide, 3β,14,16β-trihydroxy-
  • (3β,5β,16β)-3,14,16-Trihydroxycard-20(22)-enolide
  • Gitoxigenin
  • 16β-Hydroxydigitoxigenin

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