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17-Methyl-13,17-seco-androst-4-en-3,17-dione

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

17-Methyl-13,17-seco-androst-4-en-3,17-dione
SpectraBase Compound ID D7vBYAmKfj3
InChI InChI=1S/C20H30O2/c1-13-4-9-19-18(17(13)7-5-14(2)21)8-6-15-12-16(22)10-11-20(15,19)3/h12-13,17-19H,4-11H2,1-3H3/t13-,17-,18+,19+,20+/m1/s1
InChIKey MTCRXLMHPCUKFO-XEQWONBNSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 30F5ZymTzGu
Name 17-Methyl-13,17-seco-androst-4-en-3,17-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.224580204 u
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-13-4-9-19-18(17(13)7-5-14(2)21)8-6-15-12-16(22)10-11-20(15,19)3/h12-13,17-19H,4-11H2,1-3H3/t13-,17-,18+,19+,20+/m1/s1
InChIKey MTCRXLMHPCUKFO-XEQWONBNSA-N
SMILES C1(CC[C@@]2([C@]3(CC[C@]([C@]([C@@]3(CCC2=C1)[H])(CCC(=O)C)[H])(C)[H])[H])C)=O