EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:91954 - 3-cyclopentylpropanoic acid [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester

ChEBI IDCHEBI:91954
ChEBI Name3-cyclopentylpropanoic acid [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
Stars
DownloadsMolfile
FormulaC26H36O3
Net Charge0
Average Mass396.571
Monoisotopic Mass396.26645
SMILESC[C@]12CCC3c4ccc(O)cc4CCC3C1CC[C@@H]2OC(=O)CCC1CCCC1
InChIInChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21?,22?,23?,24-,26-/m0/s1
InChIKeyUOACKFBJUYNSLK-OCTSOESTSA-N
ChEBI Ontology
Outgoing Relation(s)
3-cyclopentylpropanoic acid [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester (CHEBI:91954) is a steroid ester (CHEBI:47880)
Manual XrefsDatabases
LSM-1899LINCS