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CHEBI:31801 - Maxacalcitol

ChEBI IDCHEBI:31801
ChEBI NameMaxacalcitol
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC26H42O4
Net Charge0
Average Mass418.618
Monoisotopic Mass418.30831
SMILES[H][C@@]12CC[C@]([H])([C@H](C)OCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=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
InChIKeyDTXXSJZBSTYZKE-ZDQKKZTESA-N
ChEBI Ontology
Outgoing Relation(s)
Maxacalcitol (CHEBI:31801) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
MaxacalcitolKEGG COMPOUND
22-oxacalcitriolDrugCentral
oxarolDrugCentral
Manual XrefsDatabases
D01098KEGG DRUG
1638DrugCentral
Registry NumbersSources
CAS:103909-75-7KEGG COMPOUND