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METHYL-(8R*,12R*,13S*,14E)-9-OXO-13-(PHENYLTHIO)-10-OXA-PROST-14-EN-5-YNOATE
SpectraBase Compound ID 6zCNyBMb95K
InChI InChI=1S/C26H34O4S/c1-3-4-5-6-13-18-24(31-21-15-10-9-11-16-21)23-20-30-26(28)22(23)17-12-7-8-14-19-25(27)29-2/h9-11,13,15-16,18,22-24H,3-6,8,14,17,19-20H2,1-2H3/b18-13+/t22-,23+,24+/m1/s1
InChIKey FSZGDSINKUUNMD-WJXSUAEJSA-N
Mol Weight 442.6 g/mol
Molecular Formula C26H34O4S
Exact Mass 442.217781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2dScMTE1XPP
Name METHYL-(8R*,12R*,13S*,14E)-9-OXO-13-(PHENYLTHIO)-10-OXA-PROST-14-EN-5-YNOATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H34O4S
InChI InChI=1S/C26H34O4S/c1-3-4-5-6-13-18-24(31-21-15-10-9-11-16-21)23-20-30-26(28)22(23)17-12-7-8-14-19-25(27)29-2/h9-11,13,15-16,18,22-24H,3-6,8,14,17,19-20H2,1-2H3/b18-13+/t22-,23+,24+/m1/s1
InChIKey FSZGDSINKUUNMD-WJXSUAEJSA-N
Literature Reference Author R.K.HAYNES,P.A.SCHOBER
Literature Reference Citation AUSTR.J.CHEM.,40,1249(1987)
Literature Reference DOI 10.1071/ch9871249
Molecular Weight 442.614 g/mol
Solvent CDCl3
Source File Reference UWWR50