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CHEBI:172976 - 27-nor-23,26,26-trimethyl-cholest-5-en-3beta-ol

ChEBI IDCHEBI:172976
ChEBI Name27-nor-23,26,26-trimethyl-cholest-5-en-3beta-ol
Stars
Last Modified17 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H50O
Net Charge0
Average Mass414.718
Monoisotopic Mass414.38617
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC(C)CCC(C)C
InChIInChI=1S/C29H50O/c1-19(2)7-8-20(3)17-21(4)25-11-12-26-24-10-9-22-18-23(30)13-15-28(22,5)27(24)14-16-29(25,26)6/h9,19-21,23-27,30H,7-8,10-18H2,1-6H3/t20?,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKeyDISDDEOWDPJFQP-JZPCTHSZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
27-nor-23,26,26-trimethyl-cholest-5-en-3beta-ol (CHEBI:172976) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4,7-dimethyloctan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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