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CHEBI:173064 - (3S,6R,9R)-9(10-6)abeo-5(10),7-cholestadien-3-ol

ChEBI IDCHEBI:173064
ChEBI Name(3S,6R,9R)-9(10-6)abeo-5(10),7-cholestadien-3-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O
Net Charge0
Average Mass384.648
Monoisotopic Mass384.33922
SMILES[H][C@@]1(C2=C(C)CC[C@H](O)C2)C=C2[C@]3([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@]21[H]
InChIInChI=1S/C27H44O/c1-17(2)7-6-8-19(4)25-11-12-26-24-16-23(21(24)13-14-27(25,26)5)22-15-20(28)10-9-18(22)3/h16-17,19-21,23,25-26,28H,6-15H2,1-5H3/t19-,20+,21-,23-,25-,26+,27-/m1/s1
InChIKeyXXELXWZVVFMNHA-CDEMVWFCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
(3S,6R,9R)-9(10-6)abeo-5(10),7-cholestadien-3-ol (CHEBI:173064) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S)-3-[(2R,2aR,4aR,5R,7aR)-4a-methyl-5-[(2R)-6-methylheptan-2-yl]-2,2a,3,4,5,6,7,7a-octahydrocyclobuta[e]inden-2-yl]-4-methylcyclohex-3-en-1-ol
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