![#13;SAPONIN-8;3-O-[BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSY](/api/spectrum/DkXaaMGnGjw/structure.png?h=300&w=458 "#13;SAPONIN-8;3-O-[BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSY")
| SpectraBase Compound ID | Ida4YZjqVX6 |
|---|---|
| InChI | InChI=1S/C56H92O28/c1-20-7-10-56(74-18-20)21(2)34-29(84-56)12-25-23-6-5-22-11-28(26(61)13-55(22,4)24(23)8-9-54(25,34)3)75-50-43(71)39(67)46(33(17-60)78-50)81-53-48(83-51-42(70)38(66)36(64)30(14-57)76-51)47(37(65)31(15-58)77-53)82-52-44(72)40(68)45(32(16-59)79-52)80-49-41(69)35(63)27(62)19-73-49/h20-53,57-72H,5-19H2,1-4H3/t20-,21-,22-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32-,33-,34-,35-,36+,37+,38-,39-,40-,41+,42+,43-,44-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56-/m0/s1 |
| InChIKey | LPDKCEXPGOMTOQ-ZFASYRCGSA-N |
| Mol Weight | 1213.3 g/mol |
| Molecular Formula | C56H92O28 |
| Exact Mass | 1212.577512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkXaaMGnGjw |
|---|---|
| Name | #13;SAPONIN-8;3-O-[BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H92O28 |
| InChI | InChI=1S/C56H92O28/c1-20-7-10-56(74-18-20)21(2)34-29(84-56)12-25-23-6-5-22-11-28(26(61)13-55(22,4)24(23)8-9-54(25,34)3)75-50-43(71)39(67)46(33(17-60)78-50)81-53-48(83-51-42(70)38(66)36(64)30(14-57)76-51)47(37(65)31(15-58)77-53)82-52-44(72)40(68)45(32(16-59)79-52)80-49-41(69)35(63)27(62)19-73-49/h20-53,57-72H,5-19H2,1-4H3/t20-,21-,22-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32-,33-,34-,35-,36+,37+,38-,39-,40-,41+,42+,43-,44-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56-/m0/s1 |
| InChIKey | LPDKCEXPGOMTOQ-ZFASYRCGSA-N |
| Literature Reference Author | H.ACHENBACH,H.HUEBNER,W.BRANDT,M.REITER |
| Literature Reference Citation | PHYTOCHEM.,35,1527(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)86890-9 |
| Molecular Weight | 1213.330 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU25295 |