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DE-A,B-23,24-DI-NOR-22-(PARA-TOLUENESULFONOXY)-CHOLAN-8-BETA-OL;(VITAMIN-D-DERIVATIVE)
SpectraBase Compound ID 5ReYq8V6zQd
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-NWJKBESDSA-N
Mol Weight 366.52 g/mol
Molecular Formula C20H30O4S
Exact Mass 366.186481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzvOiWDEs2W
Name DE-A,B-23,24-DI-NOR-22-(PARA-TOLUENESULFONOXY)-CHOLAN-8-BETA-OL;(VITAMIN-D-DERIVATIVE)
CAS Registry Number 66774-80-9
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-NWJKBESDSA-N
Literature Reference Author S.A.BARRACK,R.A.GIBBS,W.H.OKAMURA
Literature Reference Citation J.ORG.CHEM.,53,1790(1988)
Literature Reference DOI 10.1021/jo00243a035
Molecular Weight 366.516 g/mol
Solvent CDCl3
Source File Reference UWWR5091