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Substance Name: Apocynamarin
RN: 1397-98-4
InChIKey: ODJLBQGVINUMMR-HZXDTFASSA-N

Molecular Formula

  • C23-H30-O5

Molecular Weight

  • 404.4998
 
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Names and Synonyms

Synonyms

  • Cyanotoxin
  • Cymarigenin

Systematic Name

  • Apocynamarin

Registry Numbers

CAS Registry Number

  • 1397-98-4

System Generated Number

  • 0001397984

Structure Descriptors

InChI

1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1

InChIKey

ODJLBQGVINUMMR-HZXDTFASSA-N

Smiles

C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O