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

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ChEBI Name 27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentol
ChEBI ID CHEBI:166805
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H46O5
Net Charge 0
Average Mass 438.649
Monoisotopic Mass 438.33452
InChI InChI=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
InChIKey UBCPEZWGUOSYHO-JAPSQKQGSA-N
SMILES O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)C(O)C)C)[H])[H])C
ChEBI Ontology
Outgoing 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 Xrefs Databases
13628319 ChemSpider
HMDB0002126 HMDB
LMST01010213 LIPID MAPS
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Registry Number Type Source
78648-95-0 CAS Registry Number ChemIDplus