![SAPONIN-1;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL]-NEOTIGOGENI](/api/spectrum/8iOvi8mhrFs/structure.png?h=300&w=458 "SAPONIN-1;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL]-NEOTIGOGENI")
| SpectraBase Compound ID | EZ2EB0Bbjsz |
|---|---|
| InChI | InChI=1S/C49H80O21/c1-20-7-12-49(63-17-20)21(2)32-29(70-49)14-26-24-6-5-22-13-23(8-10-47(22,3)25(24)9-11-48(26,32)4)64-45-39(60)36(57)40(31(16-51)66-45)67-46-42(69-44-38(59)34(55)28(53)19-62-44)41(35(56)30(15-50)65-46)68-43-37(58)33(54)27(52)18-61-43/h20-46,50-60H,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-/m0/s1 |
| InChIKey | PAISGNDJJXCMGI-DRQSMZTHSA-N |
| Mol Weight | 1005.2 g/mol |
| Molecular Formula | C49H80O21 |
| Exact Mass | 1004.51921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8iOvi8mhrFs |
|---|---|
| Name | SAPONIN-1;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL]-NEOTIGOGENI |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H80O21 |
| InChI | InChI=1S/C49H80O21/c1-20-7-12-49(63-17-20)21(2)32-29(70-49)14-26-24-6-5-22-13-23(8-10-47(22,3)25(24)9-11-48(26,32)4)64-45-39(60)36(57)40(31(16-51)66-45)67-46-42(69-44-38(59)34(55)28(53)19-62-44)41(35(56)30(15-50)65-46)68-43-37(58)33(54)27(52)18-61-43/h20-46,50-60H,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-/m0/s1 |
| InChIKey | PAISGNDJJXCMGI-DRQSMZTHSA-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 | 1005.162 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU25288 |