| SpectraBase Compound ID | 9W3PM2zZPZQ |
|---|---|
| InChI | InChI=1S/C22H30O21/c1-3(23)37-10-5(25)7(27)21(42-14(10)17(30)31)40-11-6(26)8(28)22(43-15(11)18(32)33)41-13-12(38-4(2)24)9(29)20(36)39-16(13)19(34)35/h5-16,20-22,25-29,36H,1-2H3,(H,30,31)(H,32,33)(H,34,35)/t5-,6+,7-,8+,9+,10-,11+,12+,13+,14+,15-,16-,20-,21+,22-/m1/s1 |
| InChIKey | NRGMXBGEZDXPQU-AAGWGKPPSA-N |
| Mol Weight | 630.46 g/mol |
| Molecular Formula | C22H30O21 |
| Exact Mass | 630.127958 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DlA589N9ACy |
|---|---|
| Name | 4-O-ACETYL-ALPHA-D-GALACTURONOPYRANOSYL-(1->4)-ALPHA-D-GALACTURONOPYRANOSYL-(1->4)-3-O-ACETYL-ALPHA-D-GALACTURONOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H30O21 |
| InChI | InChI=1S/C22H30O21/c1-3(23)37-10-5(25)7(27)21(42-14(10)17(30)31)40-11-6(26)8(28)22(43-15(11)18(32)33)41-13-12(38-4(2)24)9(29)20(36)39-16(13)19(34)35/h5-16,20-22,25-29,36H,1-2H3,(H,30,31)(H,32,33)(H,34,35)/t5-,6+,7-,8+,9+,10-,11+,12+,13+,14+,15-,16-,20-,21+,22-/m1/s1 |
| InChIKey | NRGMXBGEZDXPQU-AAGWGKPPSA-N |
| Literature Reference Author | P.PERRONE,C.M.HEWAGE,A.R.THOMSON,K.BAILEY,I.H.SADLER,S.C.FRY |
| Literature Reference Citation | PHYTOCHEM.,60,67(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00039-0 |
| Molecular Weight | 630.468 g/mol |
| Solvent | D2O |
| Source File Reference | UWMS1568 |