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Substance Name: Cinobufaginol
RN: 6691-83-4
InChIKey: KDRVIPFIZZDLGB-CDIOGTMDSA-N

Molecular Formula

  • C26-H34-O7

Molecular Weight

  • 458.5476
 
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Names and Synonyms

Results Name

  • Cinobufaginol

Synonym

  • Cinobufaginol

Systematic Name

  • 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta,19-trihydroxy-, 16-acetate

Registry Numbers

CAS Registry Number

  • 6691-83-4

System Generated Number

  • 0006691834

Structure Descriptors

InChI

1S/C26H34O7/c1-14(28)32-22-21(15-3-6-20(30)31-12-15)24(2)9-8-18-19(26(24)23(22)33-26)5-4-16-11-17(29)7-10-25(16,18)13-27/h3,6,12,16-19,21-23,27,29H,4-5,7-11,13H2,1-2H3/t16-,17+,18+,19-,21+,22-,23-,24-,25-,26-/m1/s1

InChIKey

KDRVIPFIZZDLGB-CDIOGTMDSA-N

Smiles

CC(=O)O[C@@H]1[C@@H]2O[C@@]32[C@@H]2CC[C@@H]4C[C@@H](O)CC[C@@]4(CO)[C@@H]2CC[C@@]3(C)[C@@H]1c1coc(=O)cc1