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CHEBI:79633 - 3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one

Default Structure
ChEBI IDCHEBI:79633
ChEBI Name3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one
Stars
DownloadsMolfile
FormulaC20H26O2
Net Charge0
Average Mass298.426
Monoisotopic Mass298.19328
SMILES[H][C@@]12CCC3=CC(OC)=CC=C(C3)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C20H26O2/c1-20-10-9-16-14-4-5-15(22-2)12-13(11-14)3-6-17(16)18(20)7-8-19(20)21/h4-5,12,16-18H,3,6-11H2,1-2H3/t16-,17-,18+,20+/m1/s1
InChIKeyFBRCEPPRCFBOKU-XSYGEPLQSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one (CHEBI:79633) is a ketone (CHEBI:17087)
Synonym  Source
3-Methoxy-5,19-cyclo-5,10-secoandrosta-1(10),2,4-trien-17-oneKEGG COMPOUND
Manual XrefsDatabases
C15114KEGG COMPOUND
Registry NumbersSources
CAS:2686-05-7KEGG COMPOUND