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CHEBI:181339 - (2R,4R)-2-Hydroxy-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

ChEBI IDCHEBI:181339
ChEBI Name(2R,4R)-2-Hydroxy-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O4
Net Charge0
Average Mass392.580
Monoisotopic Mass392.29266
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)C[C@@H](O)C(=O)O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C24H40O4/c1-14(12-21(26)22(27)28)18-6-7-19-17-5-4-15-13-16(25)8-10-23(15,2)20(17)9-11-24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21-,23+,24-/m1/s1
InChIKeyOTRAYPQDIGAWSD-MFSKYVBHSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4R)-2-Hydroxy-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid (CHEBI:181339) is a cholanoid (CHEBI:36078)
IUPAC Name 
(2R,4R)-2-hydroxy-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid