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CHEBI:182104 - (7R,9S,10R,13R,14S,17R)-7-Hydroxy-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

ChEBI IDCHEBI:182104
ChEBI Name(7R,9S,10R,13R,14S,17R)-7-Hydroxy-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O3
Net Charge0
Average Mass372.549
Monoisotopic Mass372.26645
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCO)[C@]1([H])[C@H](O)CC1=CC(=O)C=C[C@@]12C
InChIInChI=1S/C24H36O3/c1-15(5-4-12-25)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(26)13-16(23)14-21(22)27/h8,10,13,15,18-22,25,27H,4-7,9,11-12,14H2,1-3H3/t15-,18-,19+,20+,21-,22+,23+,24-/m1/s1
InChIKeyOHFNMJLLKAYZIA-DZQLPFRWSA-N
ChEBI Ontology
Outgoing Relation(s)
(7R,9S,10R,13R,14S,17R)-7-Hydroxy-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (CHEBI:182104) is a cholanoid (CHEBI:36078)
IUPAC Name 
(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one