CAS 221696-55-5 is the registry number for Maxacalcitol Impurity 3. Offered by: Chemat Brand. Available pack sizes: on request.
Cis-(1S,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol (CAS 221696-55-5) is a chemical compound with the molecular formula C26H42O4 and a molecular weight of 418.6 g/mol. IUPAC name: cis-(1S,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol. InChIKey: DTXXSJZBSTYZKE-SOTAQTPASA-N.
| Molecular formula | C26H42O4 |
|---|---|
| Molecular weight | 418.6 g/mol |
| IUPAC name | cis-(1S,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol |
| InChIKey | DTXXSJZBSTYZKE-SOTAQTPASA-N |
| SMILES | C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@@H](C3=C)O)O)C)OCCC(C)(C)O |
Computed by PubChem (NCBI)