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

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ChEBI Name 3,5-Cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol
ChEBI ID CHEBI:79965
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H30O2
Net Charge 0
Average Mass 314.46170
Monoisotopic Mass 314.22458
InChI InChI=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
InChIKey WKAFEMWJRKMDQQ-QRNXFCNESA-N
SMILES C[C@]12CCC3CC13[C@H](O)C[C@H]1[C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC[C@H]21
ChEBI Ontology
Outgoing 3,5-Cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol (CHEBI:79965) is a androstanoid (CHEBI:50402)
Manual Xref Database
C15468 KEGG COMPOUND
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Registry Number Type Source
7253-33-0 CAS Registry Number KEGG COMPOUND