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CHEBI:223390 - Gymnasterone C

ChEBI IDCHEBI:223390
ChEBI NameGymnasterone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O2
Net Charge0
Average Mass408.626
Monoisotopic Mass408.30283
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC(=O)C2=C3C=CC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIInChI=1S/C28H40O2/c1-17(2)18(3)7-8-19(4)24-16-25(30)26-22-10-9-20-15-21(29)11-13-27(20,5)23(22)12-14-28(24,26)6/h7-10,15,17-19,21,23-24,29H,11-14,16H2,1-6H3/b8-7+/t18-,19+,21-,23-,24+,27-,28+/m0/s1
InChIKeyXRXZKBAAJAKIMB-AXOAYYPZSA-N
Species of MetaboliteComponentSourceComments
Gymnascella dankaliensis (ncbitaxon:166389) - PubMed (17988094)
ChEBI Ontology
Outgoing Relation(s)
Gymnasterone C (CHEBI:223390) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,9R,10R,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-15-one
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23076737ChemSpider