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CHEBI:214082 - (17beta,20R,22E,24R)-19-norergosta-1,3,5,7,9,14,22-heptaene

ChEBI IDCHEBI:214082
ChEBI Name(17beta,20R,22E,24R)-19-norergosta-1,3,5,7,9,14,22-heptaene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34
Net Charge0
Average Mass358.569
Monoisotopic Mass358.26605
SMILESCC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC=C2c3ccc4ccccc4c3CC[C@@]21C
InChIInChI=1S/C27H34/c1-18(2)19(3)10-11-20(4)25-14-15-26-24-13-12-21-8-6-7-9-22(21)23(24)16-17-27(25,26)5/h6-13,15,18-20,25H,14,16-17H2,1-5H3/b11-10+/t19-,20-,25-,27-/m1/s1
InChIKeyDBRICIKZTYJLQL-HXDDMZSUSA-N
Species of MetaboliteComponentSourceComments
Daldinia concentrica (ncbitaxon:42361) - PubMed (15620272)
ChEBI Ontology
Outgoing Relation(s)
(17beta,20R,22E,24R)-19-norergosta-1,3,5,7,9,14,22-heptaene (CHEBI:214082) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(13R,17R)-17-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthrene
Manual XrefsDatabases
10181981ChemSpider