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

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ChEBI Name 3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one
ChEBI ID CHEBI:79633
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H26O2
Net Charge 0
Average Mass 298.41920
Monoisotopic Mass 298.19328
InChI InChI=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
InChIKey FBRCEPPRCFBOKU-XSYGEPLQSA-N
SMILES COC1=CC=C2CC(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)=C1
ChEBI Ontology
Outgoing 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-one KEGG COMPOUND
Manual Xref Database
C15114 KEGG COMPOUND
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Registry Number Type Source
2686-05-7 CAS Registry Number KEGG COMPOUND