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Clostebol -HCl AC
SpectraBase Compound ID G5yRjdDxoo9
InChI InChI=1S/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3
InChIKey KPCDGGNHYODURF-UHFFFAOYSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEMejVdxCFa
Name ACETIC ACID, 10,13-DIMETHYL-3-OXO-6,7,8,9,10,11,12,13,14,15,16,17-DODECAHYDRO-3H-CYCLOPENTA[a]PHENANTHREN-17-YL ESTER
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Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3
InChIKey KPCDGGNHYODURF-UHFFFAOYSA-N
Molecular Weight 328.2031
SMILES C1=CC(=O)C=C2C1(C)C1CCC3(C(OC(=O)C)CCC3C1CC2)C
SPLASH splash10-00di-4901000000-611198d3057bde80b8eb
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany