Docetaxel hydrate

Compound Identifiers & Properties

CAS

148408-66-6

PubChem CID

45358391

SMILES

CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@]3([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H](C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)C)(CO4)OC(=O)C)O)O)O.O.O.O

Canonical SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(O)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)C(NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@]21C)C3(C)C.O.O.O