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Substance Name: Bryophyllin A
RN: 105608-32-0
InChIKey: BMRNQSAXDJQXEL-BGJAGFQLSA-N

Note

  • Cytotoxic bufadienolide orthoacetate from Bryophyllum Pinnatum.

Molecular Formula

  • C26-H32-O8

Molecular Weight

  • 472.531
 
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Names and Synonyms

Name of Substance

  • Bryophyllin A

Synonyms

  • Bryophyllin-A
  • Bryotoxin C

Systematic Name

  • Bufa-20,22-dienolide, 1,3,5-(ethylidynetris(oxy))-11,14-dihydroxy-19-oxo-, (1beta(R),3beta,5beta,11alpha)-

Registry Numbers

CAS Registry Number

  • 105608-32-0

System Generated Number

  • 0105608320

Structure Descriptors

InChI

1S/C26H32O8/c1-22-11-18(28)21-17(26(22,30)8-6-16(22)14-3-4-20(29)31-12-14)5-7-24-10-15-9-19(25(21,24)13-27)33-23(2,32-15)34-24/h3-4,12-13,15-19,21,28,30H,5-11H2,1-2H3/t15-,16+,17+,18+,19+,21+,22+,23+,24-,25+,26-/m0/s1

InChIKey

BMRNQSAXDJQXEL-BGJAGFQLSA-N

Smiles

c1([C@H]2CC[C@@]3([C@@]2(C[C@H](O)[C@@H]2[C@@]4([C@@H]5C[C@H]6C[C@@]4(CC[C@@H]32)O[C@@](O6)(O5)C)C=O)C)O)ccc(=O)oc1