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Substance Name: 3-epi-Digoxigenin
RN: 465-14-5
InChIKey: SHIBSTMRCDJXLN-PIBUTQEESA-N

Molecular Formula

  • C23-H34-O5

Molecular Weight

  • 390.517
 
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Names and Synonyms

Results Name

  • 3-epi-Digoxigenin

Synonyms

  • 3-epi-Digoxigenin
  • EINECS 207-358-9

Systematic Names

  • (3alpha,5beta,12beta)-3,12,14-Trihydroxycard-20(22)-enolide
  • Card-20(22)-enolide, 3,12,14-trihydroxy-, (3alpha,5beta,12beta)-

Registry Numbers

CAS Registry Number

  • 465-14-5

System Generated Number

  • 0000465145

Structure Descriptors

InChI

1S/C23H34O5/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/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15-,16-,17-,18+,19-,21+,22+,23?/m1/s1

InChIKey

SHIBSTMRCDJXLN-PIBUTQEESA-N

Smiles

C1[C@H](C[C@H]2CC[C@H]3[C@@]4(CC[C@@H](C=5COC(=O)C5)[C@@]4(C)[C@@H](C[C@H]3[C@@]2(C1)C)O)O)O