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

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ChEBI Name (17beta,20R,22E,24R)-1-methyl-19-norergosta-1,3,5,7,9,14,22-heptaene
ChEBI ID CHEBI:198219
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H36
Net Charge 0
Average Mass 372.596
Monoisotopic Mass 372.28170
InChI InChI=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
InChIKey FPQQKAKTGXPOSV-DYNHENLKSA-N
SMILES C1=2C(C=CC3=C1CC[C@]4(C3=CC[C@@H]4[C@@H](/C=C/[C@H](C(C)C)C)C)C)=CC=CC2C
Metabolite of Species Details
Daldinia concentrica (NCBI:txid42361) See: PubMed
ChEBI Ontology
Outgoing (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 Xref Database
9351323 ChemSpider
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