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22-(Benzyloxy)-3.beta.-[(t-butyldimethylsilyl)oxy]-5.alpha.-23,24-bisnorcholan-16.beta.-ol
SpectraBase Compound ID 73Wb0AVDMKG
InChI InChI=1S/C35H58O3Si/c1-24(22-37-23-25-12-10-9-11-13-25)32-31(36)21-30-28-15-14-26-20-27(38-39(7,8)33(2,3)4)16-18-34(26,5)29(28)17-19-35(30,32)6/h9-13,24,26-32,36H,14-23H2,1-8H3/t24-,26+,27+,28-,29+,30-,31+,32?,34+,35+/m1/s1
InChIKey CPZBVGZBBFPMDQ-XLNMSFFHSA-N
Mol Weight 554.9 g/mol
Molecular Formula C35H58O3Si
Exact Mass 554.415522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EaVa3i5gfSA
Name 22-(Benzyloxy)-3.beta.-[(t-butyldimethylsilyl)oxy]-5.alpha.-23,24-bisnorcholan-16.beta.-ol
Alternate Name(s) (2S,7S,13S,15S)-14-[(2S)-1-(benzyloxy)propan-2-yl]-5-[(tert-butyldimethylsilyl)oxy]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-13-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H58O3Si
InChI InChI=1S/C35H58O3Si/c1-24(22-37-23-25-12-10-9-11-13-25)32-31(36)21-30-28-15-14-26-20-27(38-39(7,8)33(2,3)4)16-18-34(26,5)29(28)17-19-35(30,32)6/h9-13,24,26-32,36H,14-23H2,1-8H3/t24-,26+,27+,28-,29+,30-,31+,32?,34+,35+/m1/s1
InChIKey CPZBVGZBBFPMDQ-XLNMSFFHSA-N
Molecular Weight 554.931 g/mol
SMILES O[C@@]1(C([C@@]2([C@@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C(C)(C)C)(C)C)(C4)[H])C)[H])[H])(C1)[H])C)[C@@](COCc1ccccc1)(C)[H])[H]
SPLASH splash10-0002-0000900000-259d5714b5cae40ed104
Source of Spectrum U1-1999-3508-14
Wiley ID 815022