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(8S,20S)-Des-A,B-20-[(p-toluenesulfonyl)oxy]methyl-pregnan-8-ol
SpectraBase Compound ID E1x1xTgZQD4
InChI InChI=1S/C20H30O4S/c1-14-6-8-16(9-7-14)25(22,23)24-13-15(2)17-10-11-18-19(21)5-4-12-20(17,18)3/h6-9,15,17-19,21H,4-5,10-13H2,1-3H3/t15-,17-,18+,19+,20-/m1/s1
InChIKey CZKSQENRQZPNOS-LFZDHENXSA-N
Mol Weight 366.52 g/mol
Molecular Formula C20H30O4S
Exact Mass 366.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uHCVFjJE9Y
Name Des-A,B-23,24-dinor-22-(tosyloxy)cholane-8.beta.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4S
InChI InChI=1S/C20H30O4S/c1-14-6-8-16(9-7-14)25(22,23)24-13-15(2)17-10-11-18-19(21)5-4-12-20(17,18)3/h6-9,15,17-19,21H,4-5,10-13H2,1-3H3/t15-,17-,18+,19+,20-/m1/s1
InChIKey CZKSQENRQZPNOS-LFZDHENXSA-N
Ionization Type EI
Molecular Weight 366.516 g/mol
Optical Rotation [a]D = +21.0 (c = 1.10, CHCl3)
SMILES O[C@]1(CCC[C@]2([C@]1(CC[C@@]2([C@@](COS(c1ccc(cc1)C)(=O)=O)(C)[H])[H])[H])C)[H]
SPLASH splash10-03fr-0900000000-7ae8d75fab814534b926
Source of Spectrum EP1817278B1
Wiley ID 1841719