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CHEBI:79891 - 1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione

ChEBI IDCHEBI:79891
ChEBI Name1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione
Stars
DownloadsMolfile
FormulaC19H26O3S2
Net Charge0
Average Mass366.548
Monoisotopic Mass366.13234
SMILES[H][C@@]12CC[C@]34CC(=O)C[C@H](SS3)[C@]4(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H]
InChIInChI=1S/C19H26O3S2/c1-17-7-6-14-12(13(17)3-4-16(21)22-17)5-8-19-10-11(20)9-15(23-24-19)18(14,19)2/h12-15H,3-10H2,1-2H3/t12-,13-,14-,15-,17-,18-,19+/m0/s1
InChIKeyROCVZARQFKQHCD-FQRJZAEESA-N
ChEBI Ontology
Outgoing Relation(s)
1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione (CHEBI:79891) is a organic heterotricyclic compound (CHEBI:26979)
1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione (CHEBI:79891) is a organooxygen compound (CHEBI:36963)
Manual XrefsDatabases
C15390KEGG COMPOUND