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CHEBI:181680 - [(10R,13S,17R)-17-Ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate

ChEBI IDCHEBI:181680
ChEBI Name[(10R,13S,17R)-17-Ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O3
Net Charge0
Average Mass340.463
Monoisotopic Mass340.20384
SMILES[H][C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@]2(C#C)OC(C)=O
InChIInChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18?,19?,20?,21-,22-/m0/s1
InChIKeyIMONTRJLAWHYGT-FJMAIUEKSA-N
ChEBI Ontology
Outgoing Relation(s)
[(10R,13S,17R)-17-Ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate (CHEBI:181680) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(10R,13S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Manual XrefsDatabases
4642474ChemSpider
LSM-1295LINCS