Chemical Compound

okadaic acid

CAS Registry Number 78111-17-8
okadaic acid chemical structure
Primary Record

okadaic acid

In stock
599 g
Purity
99.4 %
CAS
78111-17-8

Compound Identifiers & Properties

CAS
78111-17-8
PubChem CID
5468826
SMILES
CC1CC[C@]2(CCCCO2)OC1[C@@H](C)CC(C3C(=C)[C@H](C4[C@H](O3)CCC5(O4)CCC(O5)/C=C/[C@@H](C)C6CC(=CC7(O6)C(CC[C@H](O7)C[C@@](C)(C(=O)O)O)O)C)O)O
Canonical SMILES
C=C1C(C(O)C[C@H](C)C2O[C@@]3(CCCCO3)CCC2C)O[C@@H]2CCC3(CCC(/C=C/[C@@H](C)C4CC(C)=CC5(O4)O[C@H](C[C@](C)(O)C(=O)O)CCC5O)O3)OC2[C@@H]1O

Names & Synonyms

  • okadaic acid
  • halochondrine A
  • AC1NV5BX
  • 1, acanthifolicin deriv.
  • UNII-1W21G5Q4N2
  • CCRIS 3329
  • CHEMBL2006105
  • HSDB 7243
  • NSC677083
  • CID5468826
  • NSC-677083
  • C44-H68-O13
  • 9,10-Deepithio-9,10-didehydroacanthifolicin
  • Spiro[furan-2(3H),2-b]pyran], acanthifolicin deriv,
  • 78111-17-8
  • (2S)-3-[(10S)-4-[(E,2R)-4-[(4R,8aR)-4-hydroxy-2-[(3S)-1-hydroxy-3-[(6S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-7-hydroxy-2-methyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-2-hydroxy-2-methylpropanoic acid
  • 1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoic acid, .alpha.,5-dihydroxy-.alpha.,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenes