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Des-A,B-22-(acetoxy)-8.beta.-[(triethylsilyl)oxy]-23,24-dinorcholane
SpectraBase Compound ID LFVdYI90C7Y
InChI InChI=1S/C21H40O3Si/c1-7-25(8-2,9-3)24-20-11-10-14-21(6)18(12-13-19(20)21)16(4)15-23-17(5)22/h16,18-20H,7-15H2,1-6H3/t16-,18-,19+,20+,21-/m1/s1
InChIKey IKKGOCUIZGAOPB-BVJIBDCISA-N
Mol Weight 368.6 g/mol
Molecular Formula C21H40O3Si
Exact Mass 368.274672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HWBuRdp8C
Name Des-A,B-22-(acetoxy)-8.beta.-[(triethylsilyl)oxy]-23,24-dinorcholane
Appearance Oil
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Formula C21H40O3Si
InChI InChI=1S/C21H40O3Si/c1-7-25(8-2,9-3)24-20-11-10-14-21(6)18(12-13-19(20)21)16(4)15-23-17(5)22/h16,18-20H,7-15H2,1-6H3/t16-,18-,19+,20+,21-/m1/s1
InChIKey IKKGOCUIZGAOPB-BVJIBDCISA-N
Ionization Type EI
Molecular Weight 368.633 g/mol
Optical Rotation [a]D = +42.2 (c = 1.25, CHCl3)
SMILES C1C[C@@]([C@]2([C@](C1)([C@](CC2)([C@@](COC(C)=O)(C)[H])[H])C)[H])(O[Si](CC)(CC)CC)[H]
SPLASH splash10-004j-0902000000-b8df58a1cb4fdb7ca0ed
Source of Spectrum US7915242B2
Wiley ID 1861283