![#31;BENZYL-O-[2-O-BENZOYL-4,6-O-[(S)-1-(METHOXYCARBONYL)-ETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSYL]-(1->3)-2-O-BENZOYL-4,6-O-[(S)-1-(METHOXYCARBONYL)-ETHYLI](/api/spectrum/LuhK9C2PjAL/structure.png?h=300&w=458 "#31;BENZYL-O-[2-O-BENZOYL-4,6-O-[(S)-1-(METHOXYCARBONYL)-ETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSYL]-(1->3)-2-O-BENZOYL-4,6-O-[(S)-1-(METHOXYCARBONYL)-ETHYLI")
| SpectraBase Compound ID | IZxnbV0evBo |
|---|---|
| InChI | InChI=1S/C42H46O17/c1-41(39(45)48-4)51-22-27-29(58-41)31(47-3)33(55-35(43)25-17-11-7-12-18-25)38(54-27)57-32-30-28(23-52-42(2,59-30)40(46)49-5)53-37(50-21-24-15-9-6-10-16-24)34(32)56-36(44)26-19-13-8-14-20-26/h6-20,27-34,37-38H,21-23H2,1-5H3/t27-,28+,29-,30+,31+,32-,33-,34+,37?,38+,41+,42-/m1/s1 |
| InChIKey | RMDCWWZXXQIWRT-ABZFSLHISA-N |
| Mol Weight | 822.8 g/mol |
| Molecular Formula | C42H46O17 |
| Exact Mass | 822.2735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LuhK9C2PjAL |
|---|---|
| Name | #31;BENZYL-O-[2-O-BENZOYL-4,6-O-[(S)-1-(METHOXYCARBONYL)-ETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSYL]-(1->3)-2-O-BENZOYL-4,6-O-[(S)-1-(METHOXYCARBONYL)-ETHYLI |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46O17 |
| InChI | InChI=1S/C42H46O17/c1-41(39(45)48-4)51-22-27-29(58-41)31(47-3)33(55-35(43)25-17-11-7-12-18-25)38(54-27)57-32-30-28(23-52-42(2,59-30)40(46)49-5)53-37(50-21-24-15-9-6-10-16-24)34(32)56-36(44)26-19-13-8-14-20-26/h6-20,27-34,37-38H,21-23H2,1-5H3/t27-,28+,29-,30+,31+,32-,33-,34+,37?,38+,41+,42-/m1/s1 |
| InChIKey | RMDCWWZXXQIWRT-ABZFSLHISA-N |
| Literature Reference Author | T.ZIEGLER,E.ECKHARDT,V.BIRAULT |
| Literature Reference Citation | J.ORG.CHEM.,58,1090(1993) |
| Literature Reference DOI | 10.1021/jo00057a021 |
| Molecular Weight | 822.817 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS20214 |