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loading...| Preferred Name |
Maxacalcitol |
| Synonyms |
Maxacalcitol oxarol 22-oxacalcitriol |
| ID |
http://purl.obolibrary.org/obo/CHEBI_31801 |
| charge |
0 |
| database_cross_reference |
KEGG:D01098 Drug_Central:1638 CAS:103909-75-7 |
| formula |
C26H42O4 |
| has_exact_synonym |
Maxacalcitol |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
oxarol 22-oxacalcitriol |
| id |
CHEBI:31801 |
| in_subset | |
| inchi |
InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1 |
| inchikey |
DTXXSJZBSTYZKE-ZDQKKZTESA-N |
| label |
Maxacalcitol |
| mass |
418.610 |
| monoisotopicmass |
418.30831 |
| notation |
CHEBI:31801 |
| prefLabel |
Maxacalcitol |
| smiles |
C[C@@]12[C@](/C(=C/C=C/3C(=C)[C@@H](O)C[C@@H](C3)O)/CCC1)(CC[C@@]2([C@@H](OCCC(C)(C)O)C)[H])[H] |
| treeView | |
| subClassOf |