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METHYL-(E)-9-HYDROXY-11-TERT.-BUTOXY-13-(PHENYLTHIO)-PROST-14-EN-5-YNOATE
SpectraBase Compound ID IBhtq5VpBH3
InChI InChI=1S/C31H46O4S/c1-6-7-8-9-16-21-28(36-24-18-13-12-14-19-24)30-25(20-15-10-11-17-22-29(33)34-5)26(32)23-27(30)35-31(2,3)4/h12-14,16,18-19,21,25-28,30,32H,6-9,11,17,20,22-23H2,1-5H3/b21-16+
InChIKey QVZVQHPOIBZUHV-LTGZKZEYSA-N
Mol Weight 514.8 g/mol
Molecular Formula C31H46O4S
Exact Mass 514.311681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4sxvNmqdDQM
Name METHYL-(E)-9-HYDROXY-11-TERT.-BUTOXY-13-(PHENYLTHIO)-PROST-14-EN-5-YNOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H46O4S
InChI InChI=1S/C31H46O4S/c1-6-7-8-9-16-21-28(36-24-18-13-12-14-19-24)30-25(20-15-10-11-17-22-29(33)34-5)26(32)23-27(30)35-31(2,3)4/h12-14,16,18-19,21,25-28,30,32H,6-9,11,17,20,22-23H2,1-5H3/b21-16+
InChIKey QVZVQHPOIBZUHV-LTGZKZEYSA-N
Literature Reference Author R.K.HAYNES,D.E.LAMBERT,P.A.SCHOBER,S.G.TURNER
Literature Reference Citation AUSTR.J.CHEM.,40,1211(1987)
Literature Reference DOI 10.1071/ch9871211
Molecular Weight 514.764 g/mol
Solvent CDCl3
Source File Reference UWWR87