![ALLO-MUROLIC-ACID-(18R)-18-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/BAJa6hli9TD/structure.png?h=300&w=458 "ALLO-MUROLIC-ACID-(18R)-18-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | CMkApkAytKT |
|---|---|
| InChI | InChI=1S/C39H66O20/c1-19(14-12-10-8-6-4-3-5-7-9-11-13-15-21-25(35(50)51)20(2)36(52)55-21)54-39-34(59-38-33(49)30(46)27(43)23(17-41)57-38)31(47)28(44)24(58-39)18-53-37-32(48)29(45)26(42)22(16-40)56-37/h19,21-34,37-49H,2-18H2,1H3,(H,50,51)/t19-,21+,22+,23-,24-,25-,26+,27-,28-,29-,30+,31+,32+,33-,34-,37+,38+,39-/m1/s1 |
| InChIKey | ADYRTTQRSHFPFG-AXDHDEKBSA-N |
| Mol Weight | 854.9 g/mol |
| Molecular Formula | C39H66O20 |
| Exact Mass | 854.414745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BAJa6hli9TD |
|---|---|
| Name | ALLO-MUROLIC-ACID-(18R)-18-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H66O20 |
| InChI | InChI=1S/C39H66O20/c1-19(14-12-10-8-6-4-3-5-7-9-11-13-15-21-25(35(50)51)20(2)36(52)55-21)54-39-34(59-38-33(49)30(46)27(43)23(17-41)57-38)31(47)28(44)24(58-39)18-53-37-32(48)29(45)26(42)22(16-40)56-37/h19,21-34,37-49H,2-18H2,1H3,(H,50,51)/t19-,21+,22+,23-,24-,25-,26+,27-,28-,29-,30+,31+,32+,33-,34-,37+,38+,39-/m1/s1 |
| InChIKey | ADYRTTQRSHFPFG-AXDHDEKBSA-N |
| Literature Reference Author | T.REZANKA,I.A.GUSCHINA |
| Literature Reference Citation | PHYTOCHEM.,56,181(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00372-1 |
| Molecular Weight | 854.941 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN1706 |