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Substance Name: Bryotoxin A
RN: 101329-50-4
InChIKey: KWKQJZASURFCDP-UHFFFAOYSA-N

Note

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

Molecular Formula

  • C32-H42-O12

Molecular Weight

  • 618.672
 
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Names and Synonyms

Name of Substance

  • Bryotoxin A

Systematic Name

  • Bufa-20,22-dienolide, 3-((3-O-acetyl-4,6-dideoxy-beta-D-arabino-hexopyranosyl)oxy)-5,11,14-trihydroxy-12,19-dioxo-, (3beta,5beta,11alpha)-

Registry Numbers

CAS Registry Number

  • 101329-50-4

System Generated Number

  • 0101329504

Structure Descriptors

InChI

InChI=1S/C32H42O12/c1-16-12-22(43-17(2)34)25(36)28(42-16)44-19-6-9-30(15-33)24-21(7-10-31(30,39)13-19)32(40)11-8-20(18-4-5-23(35)41-14-18)29(32,3)27(38)26(24)37/h4-5,14-16,19-22,24-26,28,36-37,39-40H,6-13H2,1-3H3

InChIKey

KWKQJZASURFCDP-UHFFFAOYSA-N

Smiles

CC1CC(OC(=O)C)C(O)C(OC2CCC3(C=O)C4C(O)C(=O)C5(C)C(CCC5(O)C4CCC3(O)C2)C6=COC(=O)C=C6)O1