![METHYL-7-[2'-(TERT.-BUTYLSULFINYLMETHYL)-2'-HYDROXY-4'-(1''-PHENYLTHIO-OCT-2''-ENYL)-TETRAHYDROFURAN-3'-YL]-HEPT-5-YNOATE;(DIASTEREOMER-A)](/api/spectrum/4cYgiHpb2lM/structure.png?h=300&w=458 "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
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| SpectraBase Spectrum ID | 4cYgiHpb2lM |
|---|---|
| Name | METHYL-7-[2'-(TERT.-BUTYLSULFINYLMETHYL)-2'-HYDROXY-4'-(1''-PHENYLTHIO-OCT-2''-ENYL)-TETRAHYDROFURAN-3'-YL]-HEPT-5-YNOATE;(DIASTEREOMER-A) |
| 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 | UWWR61 |