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CHEBI:166805 - 27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentol

ChEBI IDCHEBI:166805
ChEBI Name27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H46O5
Net Charge0
Average Mass438.649
Monoisotopic Mass438.33452
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(O)C(C)O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C26H46O5/c1-14(5-8-21(29)15(2)27)18-6-7-19-24-20(13-23(31)26(18,19)4)25(3)10-9-17(28)11-16(25)12-22(24)30/h14-24,27-31H,5-13H2,1-4H3/t14-,15?,16+,17-,18-,19+,20+,21?,22-,23+,24+,25+,26-/m1/s1
InChIKeyUBCPEZWGUOSYHO-JAPSQKQGSA-N
ChEBI Ontology
Outgoing Relation(s)
27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentol (CHEBI:166805) is a steroid (CHEBI:35341)
IUPAC Name 
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5,6-dihydroxyheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Manual XrefsDatabases
13628319ChemSpider
HMDB0002126HMDB
LMST01010213LIPID MAPS
Registry NumbersSources
CAS:78648-95-0ChemIDplus