(3β,5β,12β)-3,12,14-Trihydroxycardanolide

CAS Registry Number®

4442-12-0
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CAS Name

(3β,5β,12β)-3,12,14-Trihydroxycardanolide

Molecular Formula

C23H36O5

Molecular Mass

392.53

Cite this Page

(3β,5β,12β)-3,12,14-Trihydroxycardanolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4442-12-0 (retrieved 2024-05-17) (CAS RN: 4442-12-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H36O5/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/h13-19,24-25,27H,3-12H2,1-2H3/t13-,14+,15-,16+,17+,18-,19+,21-,22-,23-/m0/s1

InChIKey

InChIKey=MWPLZPAHTHIKQB-YNFYBLEISA-N

SMILES

O[C@@]12[C@@](C)([C@](CC1)([C@@]3(COC(=O)C3)[H])[H])[C@H](O)C[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@H](O)C5)[H])[H])[H]

Canonical SMILES

O=C1OCC(C1)C2CCC3(O)C4CCC5CC(O)CCC5(C)C4CC(O)C23C

Other Names for this Substance

  • Cardanolide, 3,12,14-trihydroxy-, (3β,5β,12β)-
  • 5β-Cardanolide, 3β,12β,14-trihydroxy-
  • (3β,5β,12β)-3,12,14-Trihydroxycardanolide
  • Dihydrodigoxigenin
  • Digoxigenin, 20,22-dihydro-

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