![2R-[(2-METHOXYBENZOYLGENOPOSIDYL)-5-O-BETA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYLOXY]-2-PHENYL-ACETONITRILE](/api/spectrum/9gvAwgkuGVh/structure.png?h=300&w=458 "2R-[(2-METHOXYBENZOYLGENOPOSIDYL)-5-O-BETA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYLOXY]-2-PHENYL-ACETONITRILE")
| SpectraBase Compound ID | ChYhz5aHUyE |
|---|---|
| InChI | InChI=1S/C43H51NO21/c1-56-25-10-6-5-9-23(25)37(53)57-16-27-30(46)33(49)35(51)41(64-27)65-39-29-21(14-45)11-12-22(29)24(15-58-39)38(54)60-18-43(55)19-61-42(36(43)52)59-17-28-31(47)32(48)34(50)40(63-28)62-26(13-44)20-7-3-2-4-8-20/h2-11,15,22,26-36,39-42,45-52,55H,12,14,16-19H2,1H3/t22-,26?,27+,28-,29-,30+,31-,32+,33-,34-,35+,36-,39?,40-,41-,42+,43+/m1/s1 |
| InChIKey | RXDKUDGWPCFXLG-JWFYPBFOSA-N |
| Mol Weight | 917.9 g/mol |
| Molecular Formula | C43H51NO21 |
| Exact Mass | 917.295358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9gvAwgkuGVh |
|---|---|
| Name | 2R-[(2-METHOXYBENZOYLGENOPOSIDYL)-5-O-BETA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYLOXY]-2-PHENYL-ACETONITRILE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H51NO21 |
| InChI | InChI=1S/C43H51NO21/c1-56-25-10-6-5-9-23(25)37(53)57-16-27-30(46)33(49)35(51)41(64-27)65-39-29-21(14-45)11-12-22(29)24(15-58-39)38(54)60-18-43(55)19-61-42(36(43)52)59-17-28-31(47)32(48)34(50)40(63-28)62-26(13-44)20-7-3-2-4-8-20/h2-11,15,22,26-36,39-42,45-52,55H,12,14,16-19H2,1H3/t22-,26?,27+,28-,29-,30+,31-,32+,33-,34-,35+,36-,39?,40-,41-,42+,43+/m1/s1 |
| InChIKey | RXDKUDGWPCFXLG-JWFYPBFOSA-N |
| Literature Reference Author | B.SCHWARZ,V.WRAY,P.PROKSCH |
| Literature Reference Citation | PHYTOCHEM.,42,633(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00018-0 |
| Molecular Weight | 917.872 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU3519 |