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CHEBI:181387 - (3S,5S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5,6-Dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

ChEBI IDCHEBI:181387
ChEBI Name(3S,5S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5,6-Dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48O2
Net Charge0
Average Mass416.690
Monoisotopic Mass416.36543
SMILES[H][C@]12CC[C@@]3(C)C(CC[C@]3([H])[C@H](C)CC[C@@H](C)C(C)C)[C@]1([H])CC(=O)[C@@]1([H])C[C@@H](O)CC[C@]21C
InChIInChI=1S/C28H48O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h17-25,29H,7-16H2,1-6H3/t18-,19-,20+,21+,22-,23?,24+,25-,27-,28-/m1/s1
InChIKeyNBJZGNFIZZWBOJ-VSBRHGTHSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,5S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5,6-Dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one (CHEBI:181387) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
30792032ChemSpider
C15789KEGG COMPOUND