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CHEBI:34186 - 19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17beta-diol

ChEBI IDCHEBI:34186
ChEBI Name19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17beta-diol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H28O2
Net Charge0
Average Mass300.442
Monoisotopic Mass300.20893
SMILES[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C[C@H](O)CC3
InChIInChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,14,16-18,21-22H,4-12H2,2H3/t14-,16-,17-,18+,19+,20+/m1/s1
InChIKeyXSQAQKNJHGGMRV-KXMHTTHWSA-N
ChEBI Ontology
Outgoing Relation(s)
19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17beta-diol (CHEBI:34186) is a 17-hydroxy steroid (CHEBI:36838)
Synonyms  Source
19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17beta-diolKEGG COMPOUND
17alpha-Ethynylestr-5(10)-ene-3alpha,17beta-diolKEGG COMPOUND
Manual XrefsDatabases
C14652KEGG COMPOUND
Registry NumbersSources
CAS:21466-08-0KEGG COMPOUND