![QUILLAIC-ACID-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDURONIC-ACID]](/api/spectrum/Gvogpxqi7xC/structure.png?h=300&w=458 "QUILLAIC-ACID-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDURONIC-ACID]")
| SpectraBase Compound ID | GRoP6CQvvWs |
|---|---|
| InChI | InChI=1S/C48H74O20/c1-20-28(52)30(54)32(56)39(63-20)66-35-34(58)36(38(59)60)67-41(37(35)68-40-33(57)31(55)29(53)23(18-49)64-40)65-27-11-12-44(4)24(45(27,5)19-50)10-13-46(6)25(44)9-8-21-22-16-43(2,3)14-15-48(22,42(61)62)26(51)17-47(21,46)7/h8,19-20,22-37,39-41,49,51-58H,9-18H2,1-7H3,(H,59,60)(H,61,62)/t20-,22?,23-,24?,25?,26-,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,39-,40+,41+,44+,45+,46-,47-,48-/m1/s1 |
| InChIKey | QRMHDTDMGJTOJK-OPRAFROGSA-N |
| Mol Weight | 971.1 g/mol |
| Molecular Formula | C48H74O20 |
| Exact Mass | 970.477345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gvogpxqi7xC |
|---|---|
| Name | QUILLAIC-ACID-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDURONIC-ACID] |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H74O20 |
| InChI | InChI=1S/C48H74O20/c1-20-28(52)30(54)32(56)39(63-20)66-35-34(58)36(38(59)60)67-41(37(35)68-40-33(57)31(55)29(53)23(18-49)64-40)65-27-11-12-44(4)24(45(27,5)19-50)10-13-46(6)25(44)9-8-21-22-16-43(2,3)14-15-48(22,42(61)62)26(51)17-47(21,46)7/h8,19-20,22-37,39-41,49,51-58H,9-18H2,1-7H3,(H,59,60)(H,61,62)/t20-,22?,23-,24?,25?,26-,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,39-,40+,41+,44+,45+,46-,47-,48-/m1/s1 |
| InChIKey | QRMHDTDMGJTOJK-OPRAFROGSA-N |
| Literature Reference Author | S.GUO,L.KENNE,L.N.LUNDGREN,B.ROENNBERG,B.G.SUNDQUIST |
| Literature Reference Citation | PHYTOCHEM.,48,175(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00716-4 |
| Molecular Weight | 971.104 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMS645 |