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6.alpha.-Pentyl-4-androstene-3,17-dione
SpectraBase Compound ID Cl90cxtjQaV
InChI InChI=1S/C24H36O2/c1-4-5-6-7-16-14-18-19-8-9-22(26)24(19,3)13-11-20(18)23(2)12-10-17(25)15-21(16)23/h15-16,18-20H,4-14H2,1-3H3/t16-,18-,19-,20-,23+,24-/m0/s1
InChIKey VIEGBWJBDLNCHK-QEDSVCCZSA-N
Mol Weight 356.6 g/mol
Molecular Formula C24H36O2
Exact Mass 356.27153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EpZBfLE9MPy
Name 6.alpha.-Pentyl-4-androstene-3,17-dione
Comments Computed using HOSE algorithm
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Exact Mass 356.271530397 u
Formula C24H36O2
InChI InChI=1S/C24H36O2/c1-4-5-6-7-16-14-18-19-8-9-22(26)24(19,3)13-11-20(18)23(2)12-10-17(25)15-21(16)23/h15-16,18-20H,4-14H2,1-3H3/t16-,18-,19-,20-,23+,24-/m0/s1
InChIKey VIEGBWJBDLNCHK-QEDSVCCZSA-N
Molecular Weight 356.550 g/mol
SMILES C1(CC[C@]2(C(=C1)[C@](C[C@@]1([C@@]2(CC[C@]2([C@]1(CCC2=O)[H])C)[H])[H])(CCCCC)[H])C)=O