Primary Record
APHANASTATIN
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 73354986
- SMILES
- CCC(C)C(=O)OC1[C@@]2([C@@H]3C[C@H]([C@@]4([C@@H]([C@@]3(CO1)[C@H]([C@H]([C@H]2OC(=O)C)O)OC(=O)C)C(=O)[C@@H]([C@@]5([C@]46[C@H](O6)C[C@H]5C7=COC=C7)C)O)C)O)C
- Canonical SMILES
- CCC(C)C(=O)OC1OC[C@@]23[C@H]4C(=O)[C@H](O)[C@@]5(C)[C@H](c6ccoc6)C[C@H]6O[C@]65[C@]4(C)[C@H](O)C[C@H]2[C@]1(C)[C@H](OC(C)=O)[C@H](O)[C@@H]3OC(C)=O
Names & Synonyms
- APHANASTATIN
- CHEMBL2392193
- J682.421H
- (13alpha,17alpha)-4,8-Dimethyl-11-oxo-14beta,15beta:21,23-diepoxy-19,4beta-(epoxymethano)-24-nor-5alpha-chola-20,22-diene-1alpha,2alpha,3alpha,7alpha,12alpha,26-hexaol 1,3-diacetate 26-(2-methylbutyrate)
- (1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,19R,20R,21S)-19,21-bis(acetyloxy)-6-(furan-3-yl)-4,12,20-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl 2-methylbutanoate