![SAPONIN-4;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL]-NEOTIGOGENIN](/api/spectrum/90Mru5LwqqC/structure.png?h=300&w=458 "SAPONIN-4;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL]-NEOTIGOGENIN")
| SpectraBase Compound ID | 7RP9m33WZlj |
|---|---|
| InChI | InChI=1S/C51H84O23/c1-20-7-12-51(65-19-20)21(2)32-27(74-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)66-45-41(64)38(61)42(31(18-55)70-45)71-48-44(73-47-40(63)37(60)34(57)29(16-53)68-47)43(35(58)30(17-54)69-48)72-46-39(62)36(59)33(56)28(15-52)67-46/h20-48,52-64H,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-/m0/s1 |
| InChIKey | HMQLHCKDYUUVRG-VODBGUDISA-N |
| Mol Weight | 1065.2 g/mol |
| Molecular Formula | C51H84O23 |
| Exact Mass | 1064.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90Mru5LwqqC |
|---|---|
| Name | SAPONIN-4;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL]-NEOTIGOGENIN |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H84O23 |
| InChI | InChI=1S/C51H84O23/c1-20-7-12-51(65-19-20)21(2)32-27(74-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)66-45-41(64)38(61)42(31(18-55)70-45)71-48-44(73-47-40(63)37(60)34(57)29(16-53)68-47)43(35(58)30(17-54)69-48)72-46-39(62)36(59)33(56)28(15-52)67-46/h20-48,52-64H,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-/m0/s1 |
| InChIKey | HMQLHCKDYUUVRG-VODBGUDISA-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 | 1065.214 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU25291 |