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7-ALPHA-ACETYLTHIO-17-BETA-20-ISOPROPYLIDENDIOXY-21-NOR-17-ALPHA-PREGN-4-EN-3-ONE
SpectraBase Compound ID AULENjSNZAJ
InChI InChI=1S/C25H36O4S/c1-15(26)30-20-13-16-12-17(27)6-9-23(16,4)18-7-10-24(5)19(21(18)20)8-11-25(24)14-28-22(2,3)29-25/h12,18-21H,6-11,13-14H2,1-5H3/t18-,19-,20+,21+,23-,24-,25+/m0/s1
InChIKey TVTAQGQODYIKSE-XTKXXMFCSA-N
Mol Weight 432.6 g/mol
Molecular Formula C25H36O4S
Exact Mass 432.233431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fyW0Wf6AfB
Name 7-ALPHA-ACETYLTHIO-17-BETA-20-ISOPROPYLIDENDIOXY-21-NOR-17-ALPHA-PREGN-4-EN-3-ONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O4S
InChI InChI=1S/C25H36O4S/c1-15(26)30-20-13-16-12-17(27)6-9-23(16,4)18-7-10-24(5)19(21(18)20)8-11-25(24)14-28-22(2,3)29-25/h12,18-21H,6-11,13-14H2,1-5H3/t18-,19-,20+,21+,23-,24-,25+/m0/s1
InChIKey TVTAQGQODYIKSE-XTKXXMFCSA-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 432.618 g/mol
Solvent CDCl3
Source File Reference UWDB82