(3β,5β)-3-Hydroxycarda-14,20(22)-dienolide

CAS Registry Number®

4321-20-4

CAS Name

(3β,5β)-3-Hydroxycarda-14,20(22)-dienolide

Molecular Formula

C23H32O3

Molecular Mass

356.50

Cite this Page

(3β,5β)-3-Hydroxycarda-14,20(22)-dienolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4321-20-4 (retrieved 2024-11-23) (CAS RN: 4321-20-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    186-192 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H32O3/c1-22-9-7-16(24)12-15(22)3-4-17-19-6-5-18(14-11-21(25)26-13-14)23(19,2)10-8-20(17)22/h6,11,15-18,20,24H,3-5,7-10,12-13H2,1-2H3/t15-,16+,17+,18-,20+,22+,23-/m1/s1

InChIKey

InChIKey=FXWZKNUSMJAEKJ-HHALRHBMSA-N

SMILES

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

Canonical SMILES

O=C1OCC(=C1)C2CC=C3C4CCC5CC(O)CCC5(C)C4CCC32C

Other Names for this Substance

  • Carda-14,20(22)-dienolide, 3-hydroxy-, (3β,5β)-
  • 5β-Carda-14,20(22)-dienolide, 3β-hydroxy-
  • (3β,5β)-3-Hydroxycarda-14,20(22)-dienolide
  • Digitoxigenin, β-anhydro-
  • 3β-Hydroxy-5β-carda-14,20(22)-dienolide

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