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3-(3,3-DIMETHOXY-5-ALPHA,7-ALPHA-EPIDITHIO-17-BETA-HYDROXY-4-ANDROSTAN-17-ALPHA-YL)-PROPIONIC-ACID-GAMMA-LACTONE
SpectraBase Compound ID 92VreNYbfb9
InChI InChI=1S/C24H36O4S2/c1-20-8-5-16-19(15(20)6-9-22(20)10-7-18(25)28-22)17-13-23(30-29-17)14-24(26-3,27-4)12-11-21(16,23)2/h15-17,19H,5-14H2,1-4H3/t15-,16-,17+,19-,20-,21+,22+,23+/m0/s1
InChIKey NEGSXJORVJKSMN-ZVURLNDSSA-N
Mol Weight 452.7 g/mol
Molecular Formula C24H36O4S2
Exact Mass 452.205502 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2qw6osIPlWU
Name 3-(3,3-DIMETHOXY-5-ALPHA,7-ALPHA-EPIDITHIO-17-BETA-HYDROXY-4-ANDROSTAN-17-ALPHA-YL)-PROPIONIC-ACID-GAMMA-LACTONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H36O4S2
InChI InChI=1S/C24H36O4S2/c1-20-8-5-16-19(15(20)6-9-22(20)10-7-18(25)28-22)17-13-23(30-29-17)14-24(26-3,27-4)12-11-21(16,23)2/h15-17,19H,5-14H2,1-4H3/t15-,16-,17+,19-,20-,21+,22+,23+/m0/s1
InChIKey NEGSXJORVJKSMN-ZVURLNDSSA-N
Literature Reference Author H.CHEN,Z.F.WANG,Y.D.ZANG,Z.C.LI
Literature Reference Citation J.PHARM.BIOM.ANAL.,40,1263(2006)
Literature Reference DOI 10.1016/j.jpba.2005.09.003
Molecular Weight 452.667 g/mol
Solvent ACETONE-D6
Source File Reference UWDB79