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CHEBI:79552 - 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester

ChEBI IDCHEBI:79552
ChEBI Name3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester
Stars
DownloadsMolfile
FormulaC22H26O4
Net Charge0
Average Mass354.446
Monoisotopic Mass354.18311
SMILES[H][C@@]12CC[C@H](C(=O)OC)[C@@]1(C)CCc1c2cc(OC)c2cc(OC)ccc12
InChIInChI=1S/C22H26O4/c1-22-10-9-15-14-6-5-13(24-2)11-17(14)20(25-3)12-16(15)18(22)7-8-19(22)21(23)26-4/h5-6,11-12,18-19H,7-10H2,1-4H3/t18-,19+,22-/m0/s1
InChIKeyRJVUHVSRJUDNRA-JQVVWYNYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester (CHEBI:79552) has parent hydride estrane (CHEBI:23966)
3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester (CHEBI:79552) is a steroid (CHEBI:35341)
Manual XrefsDatabases
C15030KEGG COMPOUND