Chemical Compound

Nimbin

CAS Registry Number 5945-86-8
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Nimbin chemical structure
Primary Record

Nimbin

In stock
6,448 g
Purity
99.3 %
CAS
5945-86-8

Compound Identifiers & Properties

CAS
5945-86-8
PubChem CID
71750950
SMILES
CC1=C2[C@@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@@H]([C@@H]4OC(=O)C)[C@](C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C
Canonical SMILES
COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@@H](OC(C)=O)[C@@H]2[C@]1(C)C(=O)C=C[C@@]2(C)C(=O)OC

Names & Synonyms

  • Nimbin
  • ZINC59064499
  • (4|A,5|A,6|A,7|A,15|A,17|A)-6-(Acetyloxy)-7,15:21,23-Diepoxy-4,8-dimethyl-1-oxo- 18,24-dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylic Acid Dimethyl Ester
  • 5-(Acetyloxy)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-6-(methoxycarbonyl)-1,6,9a,10a-tetramethyl-9-oxo-2H-cyclopenta[b]naphtho[2,3-d]furan-10-acetic Acid Methyl Ester
  • 5945-86-8