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CHEBI:172994 - 27-Nor-4alpha-methyl-5alpha-ergosta-8(14),22-dien-3beta-ol

ChEBI IDCHEBI:172994
ChEBI Name27-Nor-4alpha-methyl-5alpha-ergosta-8(14),22-dien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILES[H][C@@]12CCC3=C4CC[C@H](C(C)/C=C/C(C)CC)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](O)[C@H]2C
InChIInChI=1S/C28H46O/c1-7-18(2)8-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8-9,18-20,22-23,25-26,29H,7,10-17H2,1-6H3/b9-8+/t18?,19?,20-,22+,23-,25?,26-,27+,28-/m0/s1
InChIKeyMRUKWXSBMFXKSZ-WKXXOVAESA-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-4alpha-methyl-5alpha-ergosta-8(14),22-dien-3beta-ol (CHEBI:172994) is a 3β-hydroxy steroid (CHEBI:36836)
IUPAC Name 
(3S,4S,5S,10S,13R,17R)-4,10,13-trimethyl-17-[(E)-5-methylhept-3-en-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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