![ALLO-MUROLIC-ACID-(18R)-18-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/6pFqFUHC9t5/structure.png?h=300&w=458 "ALLO-MUROLIC-ACID-(18R)-18-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | JmBRLprrOE8 |
|---|---|
| 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)54-21)53-39-34(59-38-32(49)30(47)27(44)23(17-41)56-38)33(28(45)24(18-42)57-39)58-37-31(48)29(46)26(43)22(16-40)55-37/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 | MKURTYXIKASPFJ-ZXUCDDFQSA-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 | 6pFqFUHC9t5 |
|---|---|
| Name | ALLO-MUROLIC-ACID-(18R)-18-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| 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)54-21)53-39-34(59-38-32(49)30(47)27(44)23(17-41)56-38)33(28(45)24(18-42)57-39)58-37-31(48)29(46)26(43)22(16-40)55-37/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 | MKURTYXIKASPFJ-ZXUCDDFQSA-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 | UWVN1705 |