digitoxin

Compound Identifiers & Properties

CAS

71-63-6

PubChem CID

139026074

SMILES

C[C@@H]1[C@H](C(C[C@@H](O1)O[C@@H]2[C@H](O[C@H](CC2O)O[C@@H]3[C@H](O[C@@H](CC3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O

Canonical SMILES

C[C@H]1O[C@@H](O[C@H]2C(O)C[C@H](O[C@H]3C(O)C[C@@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)CC(O)[C@@H]1O