Chemical Compound

Brevetoxin-3

CAS Registry Number 85079-48-7
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Brevetoxin-3 chemical structure
Primary Record

Brevetoxin-3

In stock
2,695 g
Purity
99.3 %
CAS
85079-48-7

Compound Identifiers & Properties

CAS
85079-48-7
PubChem CID
146159932
SMILES
CC1CC2C(C[C@]3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7[C@](CC8[C@@](O7)(CC=CC9C(O8)CC1C(O9)CC2[C@@](O1)(C(CC(O2)CC(=C)CO)O)C)C)(O[C@@]6(CC5)C)C
Canonical SMILES
C=C(CO)CC1CC(O)[C@]2(C)OC3CC4OC5C[C@]6(C)O[C@]7(C)CCC8OC9C[C@]%10(C)OC%11C(C)=CC(=O)OC%11CC%10OC9CC(C)C8OC7CC6O[C@@]5(C)CC=CC4OC3CC2O1

Names & Synonyms

  • Brevetoxin-3
  • PbTx-3
  • 85079-48-7