CHEBI:31818 - Mepitiostane

ChEBI IDCHEBI:31818
ChEBI NameMepitiostane
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC25H40O2S
Net Charge0
Average Mass404.660
Monoisotopic Mass404.27490
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC5(OC)CCCC5)CC[C@@]34[H])[C@@]1(C)C[C@@]1([H])S[C@@]1([H])C2
InChIInChI=1S/C25H40O2S/c1-23-13-10-19-17(7-6-16-14-20-21(28-20)15-24(16,19)2)18(23)8-9-22(23)27-25(26-3)11-4-5-12-25/h16-22H,4-15H2,1-3H3/t16-,17-,18-,19-,20-,21+,22-,23-,24-/m0/s1
InChIKeyIVDYZAAPOLNZKG-KWHRADDSSA-N
ChEBI Ontology
Outgoing Relation(s)
Mepitiostane (CHEBI:31818) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
MepitiostaneKEGG COMPOUND
S-10364DrugCentral
thioderonDrugCentral
Manual XrefsDatabases
1699DrugCentral
D01602KEGG DRUG
Registry NumbersSources
CAS:21362-69-6KEGG COMPOUND