![(-)-(3S,4R,5R,6R,7S)-3-(3',4'-METHYLENEDIOXY-ALPHA-HYDROXYBENZYL)-4-[3'',4''-DIMETHOXY-ALPHA-(PHENYLTHIO)-BENZYL]-5-(1-MENTHYLOXY)-BUTYROLACTONE](/api/spectrum/Dx41Ii7UQNN/structure.png?h=300&w=458 "(-)-(3S,4R,5R,6R,7S)-3-(3',4'-METHYLENEDIOXY-ALPHA-HYDROXYBENZYL)-4-[3'',4''-DIMETHOXY-ALPHA-(PHENYLTHIO)-BENZYL]-5-(1-MENTHYLOXY)-BUTYROLACTONE")
| SpectraBase Compound ID | All2nod6oNF |
|---|---|
| InChI | InChI=1S/C37H44O8S/c1-21(2)26-14-11-22(3)17-29(26)44-37-33(32(36(39)45-37)34(38)23-12-16-28-31(18-23)43-20-42-28)35(46-25-9-7-6-8-10-25)24-13-15-27(40-4)30(19-24)41-5/h6-10,12-13,15-16,18-19,21-22,26,29,32-35,37-38H,11,14,17,20H2,1-5H3/t22?,26?,29?,32-,33-,34-,35-,37+/m1/s1 |
| InChIKey | GDXVMDFUXZIRIV-HTQWGLEDSA-N |
| Mol Weight | 648.8 g/mol |
| Molecular Formula | C37H44O8S |
| Exact Mass | 648.27569 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dx41Ii7UQNN |
|---|---|
| Name | (-)-(3S,4R,5R,6R,7S)-3-(3',4'-METHYLENEDIOXY-ALPHA-HYDROXYBENZYL)-4-[3'',4''-DIMETHOXY-ALPHA-(PHENYLTHIO)-BENZYL]-5-(1-MENTHYLOXY)-BUTYROLACTONE |
| Compound Number | 7B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H44O8S |
| InChI | InChI=1S/C37H44O8S/c1-21(2)26-14-11-22(3)17-29(26)44-37-33(32(36(39)45-37)34(38)23-12-16-28-31(18-23)43-20-42-28)35(46-25-9-7-6-8-10-25)24-13-15-27(40-4)30(19-24)41-5/h6-10,12-13,15-16,18-19,21-22,26,29,32-35,37-38H,11,14,17,20H2,1-5H3/t22?,26?,29?,32-,33-,34-,35-,37+/m1/s1 |
| InChIKey | GDXVMDFUXZIRIV-HTQWGLEDSA-N |
| Literature Reference Author | A.PELTER,R.S.WARD,D.M.JONES,P.MADDOCKS |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2621(1993) |
| Literature Reference DOI | 10.1039/p19930002621 |
| Molecular Weight | 648.812 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU3504 |