John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HaT8k4vGu2m SpectraBase Spectrum ID=27WKAwWXgVS

(accessed ).
21-ACETOXY-17-ALPHA-HYDROXY-16-ALPHA-METHYL-11-ALPHA-TOSYL-5-ALPHA-PREGNAN-3,20-DIONE
SpectraBase Compound ID HaT8k4vGu2m
InChI InChI=1S/C31H42O8S/c1-18-6-9-23(10-7-18)40(36,37)39-26-16-30(5)25(14-19(2)31(30,35)27(34)17-38-20(3)32)24-11-8-21-15-22(33)12-13-29(21,4)28(24)26/h6-7,9-10,19,21,24-26,28,35H,8,11-17H2,1-5H3/t19-,21+,24+,25+,26-,28-,29+,30+,31+/m1/s1
InChIKey BAOPJFFGWAXPHH-ROZYOPKOSA-N
Mol Weight 574.7 g/mol
Molecular Formula C31H42O8S
Exact Mass 574.26004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27WKAwWXgVS
Name 21-ACETOXY-17-ALPHA-HYDROXY-16-ALPHA-METHYL-11-ALPHA-TOSYL-5-ALPHA-PREGNAN-3,20-DIONE
Compound Number 20
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H42O8S
InChI InChI=1S/C31H42O8S/c1-18-6-9-23(10-7-18)40(36,37)39-26-16-30(5)25(14-19(2)31(30,35)27(34)17-38-20(3)32)24-11-8-21-15-22(33)12-13-29(21,4)28(24)26/h6-7,9-10,19,21,24-26,28,35H,8,11-17H2,1-5H3/t19-,21+,24+,25+,26-,28-,29+,30+,31+/m1/s1
InChIKey BAOPJFFGWAXPHH-ROZYOPKOSA-N
Literature Reference Author J.A.R.GARCIA,F.A.V.NAVARRO,H.T.V.CASTRO
Literature Reference Citation MAGN.RES.CHEM.,32,547(1994)
Literature Reference DOI 10.1002/mrc.1260320909
Molecular Weight 574.730 g/mol
Solvent CDCl3
Source File Reference UWCP892
SpectraBase Batch ID 6lgjwTSmkLS