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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

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

C1[C@@H](C)O[C@@H]([C@@H]([C@@H]1OC(=O)C)O)O[C@@H]1C[C@@]2(O)[C@@](C=O)(CC1)[C@@H]1[C@@H](CC2)[C@@]2([C@@](C([C@@H]1O)=O)([C@@H](CC2)c1ccc(oc1)=O)C)O