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Substance Name: Bryotoxin B
RN: 105608-31-9
InChIKey: GWAJSVNDQHKYPG-REKRVTMDSA-N

Note

  • Isolated in the flowers of the poisonous plant Bryophyllum tubiflorum.

Molecular Formula

  • C26-H32-O9

Molecular Weight

  • 488.53
 
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Names and Synonyms

Name of Substance

  • Bryotoxin B

Systematic Name

  • Bufa-20,22-dienolide, 1,3,5-(ethylidynetris(oxy))-11,14,19-trihydroxy-12-oxo-, (1beta(R),3beta,5beta,11alpha)-

Registry Numbers

CAS Registry Number

  • 105608-31-9

System Generated Number

  • 0105608319

Structure Descriptors

InChI

1S/C26H32O9/c1-22-15(13-3-4-18(28)32-11-13)6-8-26(22,31)16-5-7-24-10-14-9-17(34-23(2,33-14)35-24)25(24,12-27)19(16)20(29)21(22)30/h3-4,11,14-17,19-20,27,29,31H,5-10,12H2,1-2H3/t14-,15+,16+,17+,19+,20?,22-,23+,24-,25+,26-/m0/s1

InChIKey

GWAJSVNDQHKYPG-REKRVTMDSA-N

Smiles

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