![28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-QUILLAIC-ACID-ESTER](/api/spectrum/DUE3La5tZxv/structure.png?h=300&w=458 "28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-QUILLAIC-ACID-ESTER")
| SpectraBase Compound ID | HELMPTg5Wop |
|---|---|
| InChI | InChI=1S/C46H72O17/c1-21-35(61-37-33(55)30(52)24(48)18-58-37)32(54)34(56)38(60-21)62-36-31(53)25(49)19-59-39(36)63-40(57)46-15-14-41(2,3)16-23(46)22-8-9-27-42(4)12-11-28(50)43(5,20-47)26(42)10-13-44(27,6)45(22,7)17-29(46)51/h8,20-21,23-39,48-56H,9-19H2,1-7H3/t21-,23?,24-,25-,26?,27?,28-,29+,30+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42-,43-,44+,45+,46+/m0/s1 |
| InChIKey | IJDMDWBCLHRZDQ-HHJGJHBISA-N |
| Mol Weight | 897.1 g/mol |
| Molecular Formula | C46H72O17 |
| Exact Mass | 896.476951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DUE3La5tZxv |
|---|---|
| Name | 28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-QUILLAIC-ACID-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H72O17 |
| InChI | InChI=1S/C46H72O17/c1-21-35(61-37-33(55)30(52)24(48)18-58-37)32(54)34(56)38(60-21)62-36-31(53)25(49)19-59-39(36)63-40(57)46-15-14-41(2,3)16-23(46)22-8-9-27-42(4)12-11-28(50)43(5,20-47)26(42)10-13-44(27,6)45(22,7)17-29(46)51/h8,20-21,23-39,48-56H,9-19H2,1-7H3/t21-,23?,24-,25-,26?,27?,28-,29+,30+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42-,43-,44+,45+,46+/m0/s1 |
| InChIKey | IJDMDWBCLHRZDQ-HHJGJHBISA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 897.067 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1308 |