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Substance Name: Bufadienolide
RN: 29565-35-3
InChIKey: PXOHOSHERMSUCD-YQMMVUDVSA-N

Note

  • Isolated from liushen pills.

Molecular Formula

  • C24-H34-O2

Molecular Weight

  • 358.5622
 
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Names and Synonyms

Name of Substance

  • Bufadienolide

Synonym

  • Choladien-24-oic acid, 21-hydroxy-, delta-lactone, (14beta)-

Systematic Name

  • Bufadienolide

Registry Numbers

CAS Registry Number

  • 29565-35-3

System Generated Number

  • 0029565353

Structure Descriptors

InChI

1S/C24H38O2/c1-23-13-4-3-5-17(23)7-8-18-20-10-9-19(16-6-11-22(25)26-15-16)24(20,2)14-12-21(18)23/h16-21H,3-15H2,1-2H3/t16-,17?,18-,19+,20+,21-,23-,24+/m0/s1

InChIKey

PXOHOSHERMSUCD-YQMMVUDVSA-N

Smiles

C1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3CC[C@@H]2C1)c1coc(=O)cc1)C)C