![QUILLAIC-ACID-3-O-[BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDURONIC-ACID]](/api/spectrum/H4oBbtfv6KQ/structure.png?h=300&w=458 "QUILLAIC-ACID-3-O-[BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDURONIC-ACID]")
| SpectraBase Compound ID | JYMIhJnGjPj |
|---|---|
| InChI | InChI=1S/C47H72O20/c1-42(2)13-14-47(41(60)61)21(15-42)20-7-8-25-43(3)11-10-27(44(4,19-49)24(43)9-12-45(25,5)46(20,6)16-26(47)51)64-40-36(67-39-32(56)30(54)29(53)23(17-48)63-39)34(33(57)35(66-40)37(58)59)65-38-31(55)28(52)22(50)18-62-38/h7,19,21-36,38-40,48,50-57H,8-18H2,1-6H3,(H,58,59)(H,60,61)/t21?,22-,23+,24?,25?,26+,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,38+,39-,40-,43-,44-,45+,46+,47+/m0/s1 |
| InChIKey | KUOJCJXXMJCHIN-NRIULJBHSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C47H72O20 |
| Exact Mass | 956.461695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H4oBbtfv6KQ |
|---|---|
| Name | QUILLAIC-ACID-3-O-[BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDURONIC-ACID] |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H72O20 |
| InChI | InChI=1S/C47H72O20/c1-42(2)13-14-47(41(60)61)21(15-42)20-7-8-25-43(3)11-10-27(44(4,19-49)24(43)9-12-45(25,5)46(20,6)16-26(47)51)64-40-36(67-39-32(56)30(54)29(53)23(17-48)63-39)34(33(57)35(66-40)37(58)59)65-38-31(55)28(52)22(50)18-62-38/h7,19,21-36,38-40,48,50-57H,8-18H2,1-6H3,(H,58,59)(H,60,61)/t21?,22-,23+,24?,25?,26+,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,38+,39-,40-,43-,44-,45+,46+,47+/m0/s1 |
| InChIKey | KUOJCJXXMJCHIN-NRIULJBHSA-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 | 957.077 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMS646 |