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CHEBI:198219 - (17beta,20R,22E,24R)-1-methyl-19-norergosta-1,3,5,7,9,14,22-heptaene

ChEBI IDCHEBI:198219
ChEBI Name(17beta,20R,22E,24R)-1-methyl-19-norergosta-1,3,5,7,9,14,22-heptaene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36
Net Charge0
Average Mass372.596
Monoisotopic Mass372.28170
SMILESCc1cccc2ccc3c(c12)CC[C@@]1(C)C3=CC[C@@H]1[C@H](C)/C=C/[C@@H](C)C(C)C
InChIInChI=1S/C28H36/c1-18(2)19(3)10-11-20(4)25-14-15-26-23-13-12-22-9-7-8-21(5)27(22)24(23)16-17-28(25,26)6/h7-13,15,18-20,25H,14,16-17H2,1-6H3/b11-10+/t19-,20-,25-,28-/m1/s1
InChIKeyFPQQKAKTGXPOSV-DYNHENLKSA-N
Species of MetaboliteComponentSourceComments
Daldinia concentrica (ncbitaxon:42361) - PubMed (15620272)
ChEBI Ontology
Outgoing Relation(s)
(17beta,20R,22E,24R)-1-methyl-19-norergosta-1,3,5,7,9,14,22-heptaene (CHEBI:198219) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(13R,17R)-17-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-1,13-dimethyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthrene
Manual XrefsDatabases
9351323ChemSpider