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22-Acetoxy-3.beta.-[(t-butyldimethylsilyl)oxy]-5.alpha.-23,24-bisnorchol-16-en-15-.alpha.-ol
SpectraBase Compound ID DckyPZ44Jbz
InChI InChI=1S/C30H52O4Si/c1-19(18-33-20(2)31)25-17-26(32)27-23-11-10-21-16-22(34-35(8,9)28(3,4)5)12-14-29(21,6)24(23)13-15-30(25,27)7/h17,19,21-24,26-27,32H,10-16,18H2,1-9H3/t19-,21+,22+,23-,24+,26+,27+,29+,30-/m1/s1
InChIKey UWPMGWZBAAUFEM-CBVPVDHQSA-N
Mol Weight 504.8 g/mol
Molecular Formula C30H52O4Si
Exact Mass 504.363487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XMFhYRO2hP
Name 22-Acetoxy-3.beta.-[(t-butyldimethylsilyl)oxy]-5.alpha.-23,24-bisnorchol-16-en-15-.alpha.-ol
Alternate Name(s) (2S)-2-[(2S,12S,15S)-5-[(tert-butyldimethylsilyl)oxy]-12-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-13-en-14-yl]propyl acetate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O4Si
InChI InChI=1S/C30H52O4Si/c1-19(18-33-20(2)31)25-17-26(32)27-23-11-10-21-16-22(34-35(8,9)28(3,4)5)12-14-29(21,6)24(23)13-15-30(25,27)7/h17,19,21-24,26-27,32H,10-16,18H2,1-9H3/t19-,21+,22+,23-,24+,26+,27+,29+,30-/m1/s1
InChIKey UWPMGWZBAAUFEM-CBVPVDHQSA-N
Molecular Weight 504.827 g/mol
SMILES O[C@@]1([C@]2([C@@](C(=C1)[C@@](COC(=O)C)(C)[H])(CC[C@@]1([C@@]3([C@](C[C@@](O[Si](C(C)(C)C)(C)C)(CC3)[H])(CC[C@@]21[H])[H])C)[H])C)[H])[H]
SPLASH splash10-0002-0000900000-373302f01918a069e160
Source of Spectrum U1-1999-3509-20
Wiley ID 815020