![(-)-(2R,3R,4R)-2-(4'-BENZYLOXYBENZYL)-3-{3'',4''-DIMETHOXYPHENYL-[BIS-(PHENYLSULFANYL)]-METHYL}-4-(METHYLOXY)-BUTYROLACTONE](/api/spectrum/7gL9u8n4bKB/structure.png?h=300&w=458 "(-)-(2R,3R,4R)-2-(4'-BENZYLOXYBENZYL)-3-{3'',4''-DIMETHOXYPHENYL-[BIS-(PHENYLSULFANYL)]-METHYL}-4-(METHYLOXY)-BUTYROLACTONE")
| SpectraBase Compound ID | 6cL40vjppWB |
|---|---|
| InChI | InChI=1S/C49H54O6S2/c1-33(2)41-27-21-34(3)29-44(41)54-48-46(42(47(50)55-48)30-35-22-25-38(26-23-35)53-32-36-15-9-6-10-16-36)49(56-39-17-11-7-12-18-39,57-40-19-13-8-14-20-40)37-24-28-43(51-4)45(31-37)52-5/h6-20,22-26,28,31,33-34,41-42,44,46,48H,21,27,29-30,32H2,1-5H3/t34?,41?,42-,44?,46-,48-/m0/s1 |
| InChIKey | LXHPRYUACNYDEO-JTVFEFBWSA-N |
| Mol Weight | 803.1 g/mol |
| Molecular Formula | C49H54O6S2 |
| Exact Mass | 802.336182 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7gL9u8n4bKB |
|---|---|
| Name | (-)-(2R,3R,4R)-2-(4'-BENZYLOXYBENZYL)-3-{3'',4''-DIMETHOXYPHENYL-[BIS-(PHENYLSULFANYL)]-METHYL}-4-(METHYLOXY)-BUTYROLACTONE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H54O6S2 |
| InChI | InChI=1S/C49H54O6S2/c1-33(2)41-27-21-34(3)29-44(41)54-48-46(42(47(50)55-48)30-35-22-25-38(26-23-35)53-32-36-15-9-6-10-16-36)49(56-39-17-11-7-12-18-39,57-40-19-13-8-14-20-40)37-24-28-43(51-4)45(31-37)52-5/h6-20,22-26,28,31,33-34,41-42,44,46,48H,21,27,29-30,32H2,1-5H3/t34?,41?,42-,44?,46-,48-/m0/s1 |
| InChIKey | LXHPRYUACNYDEO-JTVFEFBWSA-N |
| Literature Reference Author | A.PELTER,R.S.WARD,A.ABD-EL-GHANI |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1353(1996) |
| Literature Reference DOI | 10.1039/p19960001353 |
| Molecular Weight | 803.084 g/mol |
| Solvent | CDCl3 |
| Source File Reference | WANG1714 |