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18,21-Dihydroxy-5.beta.-pregnane-3,20-dione MO-TMS
SpectraBase Compound ID PbremYTDSi
InChI InChI=1S/C29H54N2O4Si2/c1-28-16-14-22(30-32-2)18-21(28)10-11-23-24(28)15-17-29(20-35-37(7,8)9)25(23)12-13-26(29)27(31-33-3)19-34-36(4,5)6/h21,23-26H,10-20H2,1-9H3/b30-22+,31-27+/t21-,23+,24+,25+,26-,28+,29-/m1/s1
InChIKey NBSLZELEANAIFR-LAILOUJSSA-N
Mol Weight 550.9 g/mol
Molecular Formula C29H54N2O4Si2
Exact Mass 550.362211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFUXjo1ASPX
Name 18,21-Dihydroxy-5.beta.-pregnane-3,20-dione MO-TMS
Alternate Name(s) (5beta,8alpha)-18,21-bis[(trimethylsilyl)oxy]pregnane-3,20-dione bis(O-methyloxime)
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Formula C29H54N2O4Si2
InChI InChI=1S/C29H54N2O4Si2/c1-28-16-14-22(30-32-2)18-21(28)10-11-23-24(28)15-17-29(20-35-37(7,8)9)25(23)12-13-26(29)27(31-33-3)19-34-36(4,5)6/h21,23-26H,10-20H2,1-9H3/b30-22+,31-27+/t21-,23+,24+,25+,26-,28+,29-/m1/s1
InChIKey NBSLZELEANAIFR-LAILOUJSSA-N
Molecular Weight 550.931 g/mol
SMILES [C@@]12([C@]([C@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC\C(=N/OC)C4)C)[H])[H])(CC[C@@]1(\C(CO[Si](C)(C)C)=N\OC)[H])[H])CO[Si](C)(C)C
SPLASH splash10-00di-9312020000-e27caa4e9a0a91a2b18e
Source of Spectrum SH-1981-0-0
Wiley ID 1405703