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17.alpha.-Methyl-5.alpha.-androstane-3.alpha.,17.beta.-diol, tbdms derivative
SpectraBase Compound ID LuXPXQD4Uhq
InChI InChI=1S/C26H48O2Si/c1-23(2,3)29(7,8)28-19-11-14-24(4)18(17-19)9-10-20-21(24)12-15-25(5)22(20)13-16-26(25,6)27/h18-22,27H,9-17H2,1-8H3
InChIKey YTSGDPVPFSGBCK-UHFFFAOYSA-N
Mol Weight 420.8 g/mol
Molecular Formula C26H48O2Si
Exact Mass 420.342357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 32v8dE3QaIw
Name 17.alpha.-Methyl-5.alpha.-androstane-3.alpha.,17.beta.-diol, tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 420.342357319 u
Formula C26H48O2Si
InChI InChI=1S/C26H48O2Si/c1-23(2,3)29(7,8)28-19-11-14-24(4)18(17-19)9-10-20-21(24)12-15-25(5)22(20)13-16-26(25,6)27/h18-22,27H,9-17H2,1-8H3
InChIKey YTSGDPVPFSGBCK-UHFFFAOYSA-N
Molecular Weight 420.753 g/mol
SMILES CC(C)(C)[Si](C)(C)OC1CCC2(C(CCC3C4C(C(C)(O)CC4)(C)CCC23)C1)C