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CHEBI:63245 - 3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione

ChEBI IDCHEBI:63245
ChEBI Name3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
Stars
DefinitionA seco-androstane that is 9,10-secoandrostane which is substituted by oxo groups at positions 9 and 17 and in which the A-ring is aromatic and bears a hydroxy group at position 3.
Last Modified19 August 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H24O3
Net Charge0
Average Mass300.398
Monoisotopic Mass300.17254
SMILES[H][C@@]12CCC(=O)[C@@]1(C)CCC(=O)C2CCc1cc(O)ccc1C
InChIInChI=1S/C19H24O3/c1-12-3-5-14(20)11-13(12)4-6-15-16-7-8-18(22)19(16,2)10-9-17(15)21/h3,5,11,15-16,20H,4,6-10H2,1-2H3/t15?,16-,19-/m0/s1
InChIKeyZWXONJFCJAGEBA-RRSHCKCTSA-N
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione (CHEBI:63245) is a cyclic ketone (CHEBI:3992)
3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione (CHEBI:63245) is a phenols (CHEBI:33853)
3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione (CHEBI:63245) is a seco-androstane (CHEBI:26616)
IUPAC Name 
(8ξ)-3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
Synonyms  Source
9,10-secoandrosta-1,3,5(10)-triene-9,17-dione, 3-hydroxy-ChemIDplus
secophenolChemIDplus
UniProt Name  Source
3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dioneUniProt
Registry NumbersSources
CAS:2394-69-6ChemIDplus
Citations