Chemical Compound

Nigellamine B1

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Nigellamine B1 chemical structure
Primary Record

Nigellamine B1

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177546488
SMILES
C/C/1=C\[C@@H]([C@]2(CC=C([C@@H]2C(C[C@]3([C@H](O3)CC1)C)OC(=O)C4=CN=CC=C4)C(C)(C)OO)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
Canonical SMILES
C/C1=C\[C@H](OC(=O)c2ccccc2)[C@@]2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)[C@@H]2C(OC(=O)c2cccnc2)C[C@]2(C)O[C@@H]2CC1

Names & Synonyms

  • Nigellamine B1
  • J2.021.814B
  • (1R,2R,4S,6R,9E,11S,12S)-11-(benzoyloxy)-12-[(benzoyloxy)methyl]-15-(2-hydroperoxypropan-2-yl)-4,9-dimethyl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-2-yl pyridine-3-carboxylate
  • Benzoic acid [(1S,3E,11alpha)-2beta-(benzoyloxy)-4,8-dimethyl-10beta-(3-pyridinylcarbonyloxy)-12-(1-hydroperoxy-1-methylethyl)-7beta,8beta-epoxybicyclo[9.3.0]tetradecane-3,12-diene-1beta-yl]methyl ester