Chemical Compound

calyculin A

CAS Registry Number 101932-71-2
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calyculin A chemical structure
Primary Record

calyculin A

In stock
9,549 g
Purity
98.9 %
CAS
101932-71-2

Compound Identifiers & Properties

CAS
101932-71-2
PubChem CID
16760037
SMILES
C[C@@H]1[C@H](CC2(C([C@@H](C(O2)[C@@H](C[C@H]([C@@H](C)[C@H]([C@@H](C)/C=C(\C)/C(=C/C=C/C(=C\C#N)/C)/C)O)O)OC)OP(=O)(O)O)(C)C)O[C@@H]1C/C=C/C3=COC(=N3)[C@H](C)CCNC(=O)[C@@H]([C@@H]([C@@H](COC)N(C)C)O)O)O
Canonical SMILES
COC[C@H]([C@@H](O)[C@@H](O)C(=O)NCC[C@@H](C)c1nc(/C=C/C[C@H]2OC3(C[C@H](O)[C@H]2C)OC([C@@H](C[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C\C#N)OC)[C@@H](OP(=O)(O)O)C3(C)C)co1)N(C)C

Names & Synonyms

  • calyculin A
  • BSPBio_001542
  • CHEMBL1482114
  • BCBcMAP01_000246
  • HMS1361N04
  • HMS1791N04
  • HMS1989N04
  • HMS3402N04
  • IDI1_034012
  • NCGC00163434-01
  • NCGC00163434-02
  • NCGC00163434-03
  • 2H-Pyrido[4,3-b][1,4]oxazin-3(4H)-one
  • BRD-A47513740-001-02-5
  • 101932-71-2
  • [(3S,7S,8R,9R)-2-[(1R,3R,4R,5S,6S,7E,9E,11E,13Z)-14-Cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7-hydroxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] dihydrogen phosphate