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CHEBI:39575 - 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE

Default Structure
ChEBI IDCHEBI:39575
ChEBI Name17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC21H28O2
Net Charge0
Average Mass312.453
Monoisotopic Mass312.20893
SMILES[H]O[C@@]1(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]2([H])[C@]1(C([H])([H])C([H])([H])[H])C([H])=C([H])C1=C3C(=C([H])C(=O)C([H])([H])C3([H])[H])C([H])([H])C([H])([H])[C@]12[H]
InChIInChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1
InChIKeyOXHNQTSIKGHVBH-ANULTFPQSA-N
ChEBI Ontology
Outgoing Relation(s)
17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE (CHEBI:39575) is a unclassifieds (CHEBI:27189)
Synonyms  Source
17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONEPDBeChem
(8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)PDBeChem
Manual XrefsDatabases
17HPDBeChem