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CHEBI:177052 - Boldenone_Undecylenate

ChEBI IDCHEBI:177052
ChEBI NameBoldenone_Undecylenate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O3
Net Charge0
Average Mass452.679
Monoisotopic Mass452.32905
SMILES[H][C@]12CCC3(C)[C@@H](OC(=O)CCCCCCCCC=C)CC[C@@]3([H])C1CCC1=CC(=O)C=CC12C
InChIInChI=1S/C30H44O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h4,17,19,21,24-27H,1,5-16,18,20H2,2-3H3/t24?,25-,26-,27-,29?,30?/m0/s1
InChIKeyAHMMSNQYOPMLSX-KEZAGTACSA-N
ChEBI Ontology
Outgoing Relation(s)
Boldenone_Undecylenate (CHEBI:177052) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(9S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undec-10-enoate
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23943ChemSpider