| SpectraBase Compound ID | 844M0q8tPtg |
|---|---|
| InChI | InChI=1S/C50H82O24/c1-18-5-8-50(66-16-18)19(2)32-28(74-50)10-22-20-9-24(54)23-11-27(25(55)12-49(23,4)21(20)6-7-48(22,32)3)67-45-40(64)37(61)41(31(15-53)70-45)71-47-43(73-46-39(63)36(60)34(58)29(13-51)68-46)42(35(59)30(14-52)69-47)72-44-38(62)33(57)26(56)17-65-44/h18-47,51-64H,5-17H2,1-4H3/t18-,19+,20-,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-/m1/s1 |
| InChIKey | REIZDYUGEPBIJP-WOULMKFLSA-N |
| Mol Weight | 1067.2 g/mol |
| Molecular Formula | C50H82O24 |
| Exact Mass | 1066.519603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vCeZNjkb48 |
|---|---|
| Name | AGINOSIDE;AGIGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H82O24 |
| InChI | InChI=1S/C50H82O24/c1-18-5-8-50(66-16-18)19(2)32-28(74-50)10-22-20-9-24(54)23-11-27(25(55)12-49(23,4)21(20)6-7-48(22,32)3)67-45-40(64)37(61)41(31(15-53)70-45)71-47-43(73-46-39(63)36(60)34(58)29(13-51)68-46)42(35(59)30(14-52)69-47)72-44-38(62)33(57)26(56)17-65-44/h18-47,51-64H,5-17H2,1-4H3/t18-,19+,20-,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-/m1/s1 |
| InChIKey | REIZDYUGEPBIJP-WOULMKFLSA-N |
| Literature Reference Author | K.KAWASHIMA,Y.MIMAKI,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,30,3063(1991) |
| Literature Reference DOI | 10.1016/S0031-9422(00)98253-0 |
| Molecular Weight | 1067.187 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN31006 |