![CYNARASAPONIN-J;3-O-BETA-[ARABINOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-MACHAERINIC-ACID-28-O-GLUCOPYRANOSYLESTER](/api/spectrum/1zixvXZB4rZ/structure.png?h=300&w=458 "CYNARASAPONIN-J;3-O-BETA-[ARABINOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-MACHAERINIC-ACID-28-O-GLUCOPYRANOSYLESTER")
| SpectraBase Compound ID | 1AhvFcV7Rxy |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-43(2)17-22-21-9-10-26-45(5)13-12-28(64-41-37(33(56)32(55)36(65-41)38(59)61-8)66-39-34(57)29(52)23(50)20-62-39)44(3,4)25(45)11-14-47(26,7)46(21,6)15-16-48(22,18-27(43)51)42(60)67-40-35(58)31(54)30(53)24(19-49)63-40/h9,22-37,39-41,49-58H,10-20H2,1-8H3/t22?,23-,24-,25?,26?,27+,28+,29+,30-,31+,32+,33+,34-,35-,36+,37-,39+,40+,41-,45+,46-,47-,48-/m1/s1 |
| InChIKey | NHTIRLDVGLBGKV-UBEPYUOWSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C48H76O19 |
| Exact Mass | 956.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1zixvXZB4rZ |
|---|---|
| Name | CYNARASAPONIN-J;3-O-BETA-[ARABINOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-MACHAERINIC-ACID-28-O-GLUCOPYRANOSYLESTER |
| Compound Number | 64 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-43(2)17-22-21-9-10-26-45(5)13-12-28(64-41-37(33(56)32(55)36(65-41)38(59)61-8)66-39-34(57)29(52)23(50)20-62-39)44(3,4)25(45)11-14-47(26,7)46(21,6)15-16-48(22,18-27(43)51)42(60)67-40-35(58)31(54)30(53)24(19-49)63-40/h9,22-37,39-41,49-58H,10-20H2,1-8H3/t22?,23-,24-,25?,26?,27+,28+,29+,30-,31+,32+,33+,34-,35-,36+,37-,39+,40+,41-,45+,46-,47-,48-/m1/s1 |
| InChIKey | NHTIRLDVGLBGKV-UBEPYUOWSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 957.120 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1153 |