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METHYL-7-[2'-(TERT.-BUTYLSULFINYLMETHYL)-2'-HYDROXY-4'-(1''-PHENYLTHIO-OCT-2''-ENYL)-TETRAHYDROFURAN-3'-YL]-HEPT-5-YNOATE;(DIASTEREOMER-A)
SpectraBase Compound ID 7DD9jKCaUwj
InChI InChI=1S/C31H46O6S2/c1-6-7-8-9-16-21-28(38-25-18-13-12-14-19-25)26-23-37-31(33,24-39(34,35)30(2,3)4)27(26)20-15-10-11-17-22-29(32)36-5/h12-14,16,18-19,21,26-28,33H,6-9,11,17,20,22-24H2,1-5H3/b21-16+/t26-,27+,28?,31-/m0/s1
InChIKey LPCNRLNJCMBZEV-QIFAVXKZSA-N
Mol Weight 578.8 g/mol
Molecular Formula C31H46O6S2
Exact Mass 578.273582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LdLqzMF8Mno
Name METHYL-7-[2'-(TERT.-BUTYLSULFINYLMETHYL)-2'-HYDROXY-4'-(1''-PHENYLTHIO-OCT-2''-ENYL)-TETRAHYDROFURAN-3'-YL]-HEPT-5-YNOATE;(DIASTEREOMER-B)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H46O6S2
InChI InChI=1S/C31H46O6S2/c1-6-7-8-9-16-21-28(38-25-18-13-12-14-19-25)26-23-37-31(33,24-39(34,35)30(2,3)4)27(26)20-15-10-11-17-22-29(32)36-5/h12-14,16,18-19,21,26-28,33H,6-9,11,17,20,22-24H2,1-5H3/b21-16+/t26-,27+,28?,31-/m0/s1
InChIKey LPCNRLNJCMBZEV-QIFAVXKZSA-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 578.823 g/mol
Solvent CDCl3
Source File Reference UWWR64