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CHEBI:79965 - 3,5-Cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol

ChEBI IDCHEBI:79965
ChEBI Name3,5-Cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol
Stars
DownloadsMolfile
FormulaC21H30O2
Net Charge0
Average Mass314.469
Monoisotopic Mass314.22458
SMILES[H][C@@]12C[C@@H](O)C34CC3CC[C@]4(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@@]1(O)C#C
InChIInChI=1S/C21H30O2/c1-4-20(23)10-7-15-14-11-17(22)21-12-13(21)5-8-19(21,3)16(14)6-9-18(15,20)2/h1,13-17,22-23H,5-12H2,2-3H3/t13?,14-,15-,16-,17+,18-,19+,20-,21?/m0/s1
InChIKeyWKAFEMWJRKMDQQ-QRNXFCNESA-N
ChEBI Ontology
Outgoing Relation(s)
3,5-Cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol (CHEBI:79965) is a androstanoid (CHEBI:50402)
Manual XrefsDatabases
C15468KEGG COMPOUND
Registry NumbersSources
CAS:7253-33-0KEGG COMPOUND