Structure via PubChem · Public domain (PubChem)
nimbin
Sign in to saveAlso known as (4alpha,5alpha,6alpha,7alpha,15beta,17alpha)-6-(acetyloxy)-7,15:21,23-diepoxy-4,8-dimethyl-1-oxo-8,24-dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylic acid methyl ester
chemical compound
Chemical data
- Formula
- C30H36O9
- Molecular weight
- 540.6 g/mol
- IUPAC name
- methyl (1S,2R,3R,4R,8R,9S,10R,13R,15R)-2-acetyloxy-13-(furan-3-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylate
- 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
- InChIKey
- NHOIBRJOQAYBJT-IMGVWCFESA-N
- XLogP
- 2.3
- Polar surface area
- 118 Ų
- H-bond donors
- 0
- H-bond acceptors
- 9
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 540.236
Show 5 more facts
- chemical formula
- C₃₀H₃₆O₉
- isomeric 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
- CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C(C4OC(=O)C)C(C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C
- found in taxon
- Azadirachta indica
- Commons category
- Nimbin
Sources (2)
via Wikidata · CC0