![(1''R*,2''E,2'S*,3'R*,4'R*)-7-[2'-(TERT.-BUTYLSULFINYLMETHYL)-2'-HYDROXY-4'-(1''-PHENYLTHIO-OCT-2''-ENYL)-TETRAHYDROFURAN-3'-YL]-HEPT-5-YNOIC-ACID](/api/spectrum/AfkTP0SFDU5/structure.png?h=300&w=458 "(1''R*,2''E,2'S*,3'R*,4'R*)-7-[2'-(TERT.-BUTYLSULFINYLMETHYL)-2'-HYDROXY-4'-(1''-PHENYLTHIO-OCT-2''-ENYL)-TETRAHYDROFURAN-3'-YL]-HEPT-5-YNOIC-ACID")
| SpectraBase Compound ID | 5KQ8y1gwPNk |
|---|---|
| InChI | InChI=1S/C30H44O6S2/c1-5-6-7-8-15-20-27(37-24-17-12-11-13-18-24)25-22-36-30(33,23-38(34,35)29(2,3)4)26(25)19-14-9-10-16-21-28(31)32/h11-13,15,17-18,20,25-27,33H,5-8,10,16,19,21-23H2,1-4H3,(H,31,32)/b20-15+/t25-,26+,27+,30-/m0/s1 |
| InChIKey | MMVIMWPNRATHRX-BOXFWSISSA-N |
| Mol Weight | 564.8 g/mol |
| Molecular Formula | C30H44O6S2 |
| Exact Mass | 564.257931 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AfkTP0SFDU5 |
|---|---|
| Name | (1''R*,2''E,2'S*,3'R*,4'R*)-7-[2'-(TERT.-BUTYLSULFINYLMETHYL)-2'-HYDROXY-4'-(1''-PHENYLTHIO-OCT-2''-ENYL)-TETRAHYDROFURAN-3'-YL]-HEPT-5-YNOIC-ACID |
| Compound Number | 25 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O6S2 |
| InChI | InChI=1S/C30H44O6S2/c1-5-6-7-8-15-20-27(37-24-17-12-11-13-18-24)25-22-36-30(33,23-38(34,35)29(2,3)4)26(25)19-14-9-10-16-21-28(31)32/h11-13,15,17-18,20,25-27,33H,5-8,10,16,19,21-23H2,1-4H3,(H,31,32)/b20-15+/t25-,26+,27+,30-/m0/s1 |
| InChIKey | MMVIMWPNRATHRX-BOXFWSISSA-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 | 564.796 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWWR62 |