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CHEBI:187332 - 2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol

ChEBI IDCHEBI:187332
ChEBI Name2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54O9
Net Charge0
Average Mass618.808
Monoisotopic Mass618.37678
SMILES[H][C@]12CC[C@@]3(COC(C)=O)[C@@]([H])([C@H](OC(C)=O)C[C@]3([H])[C@H](C)CCCC(C)C)[C@]1([H])[C@@H](OC(C)=O)C=C1C[C@H](O)[C@H](OC(C)=O)C[C@@]12C
InChIInChI=1S/C35H54O9/c1-19(2)10-9-11-20(3)27-16-30(43-23(6)38)33-32-26(12-13-35(27,33)18-41-21(4)36)34(8)17-31(44-24(7)39)28(40)14-25(34)15-29(32)42-22(5)37/h15,19-20,26-33,40H,9-14,16-18H2,1-8H3/t20-,26+,27-,28+,29+,30-,31-,32+,33+,34+,35+/m1/s1
InChIKeyUMYUPHFXQKVRIH-OVNCJEGASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol (CHEBI:187332) is a cholestanoid (CHEBI:50401)
IUPAC Name 
[(2R,3S,7R,8R,9S,10R,13S,14S,15R,17R)-2,7,15-triacetyloxy-3-hydroxy-10-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl acetate
Manual XrefsDatabases
10275267ChemSpider
LMST01010312LIPID MAPS