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CHEBI:181361 - (8S,9S,13R,14S,16S)-3-Methoxy-13,16-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene

ChEBI IDCHEBI:181361
ChEBI Name(8S,9S,13R,14S,16S)-3-Methoxy-13,16-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O
Net Charge0
Average Mass284.443
Monoisotopic Mass284.21402
SMILES[H][C@@]12CCc3cc(OC)ccc3[C@@]1([H])CC[C@]1(C)C[C@@H](C)C[C@]12[H]
InChIInChI=1S/C20H28O/c1-13-10-19-18-6-4-14-11-15(21-3)5-7-16(14)17(18)8-9-20(19,2)12-13/h5,7,11,13,17-19H,4,6,8-10,12H2,1-3H3/t13-,17+,18+,19-,20+/m0/s1
InChIKeySJXGJPUURFDYMO-WWYBLAPGSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9S,13R,14S,16S)-3-Methoxy-13,16-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene (CHEBI:181361) has parent hydride estrane (CHEBI:23966)
(8S,9S,13R,14S,16S)-3-Methoxy-13,16-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene (CHEBI:181361) is a steroid (CHEBI:35341)
IUPAC Name 
(8S,9S,13R,14S,16S)-3-methoxy-13,16-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
Manual XrefsDatabases
10128434ChemSpider
C15262KEGG COMPOUND