![28-O-[GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-QUILLAIC-ACID-ESTER](/api/spectrum/4vnYbxVZJkb/structure.png?h=300&w=458 "28-O-[GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-QUILLAIC-ACID-ESTER")
| SpectraBase Compound ID | 6BdTFOHScfw |
|---|---|
| InChI | InChI=1S/C52H82O22/c1-22-39(71-42-36(63)32(59)25(55)19-67-42)40(72-43-37(64)35(62)34(61)27(18-53)70-43)38(65)44(69-22)73-41-33(60)26(56)20-68-45(41)74-46(66)52-15-14-47(2,3)16-24(52)23-8-9-29-48(4)12-11-30(57)49(5,21-54)28(48)10-13-50(29,6)51(23,7)17-31(52)58/h8,21-22,24-45,53,55-65H,9-20H2,1-7H3/t22-,24?,25+,26-,27-,28?,29?,30-,31+,32-,33-,34-,35+,36+,37-,38+,39-,40-,41+,42-,43+,44-,45-,48-,49-,50+,51+,52+/m0/s1 |
| InChIKey | PVRCGBKPZQMQAZ-VNTINZEXSA-N |
| Mol Weight | 1059.2 g/mol |
| Molecular Formula | C52H82O22 |
| Exact Mass | 1058.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vnYbxVZJkb |
|---|---|
| Name | 28-O-[GLUCOPYRANOSYL-(1->3)-[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 | C52H82O22 |
| InChI | InChI=1S/C52H82O22/c1-22-39(71-42-36(63)32(59)25(55)19-67-42)40(72-43-37(64)35(62)34(61)27(18-53)70-43)38(65)44(69-22)73-41-33(60)26(56)20-68-45(41)74-46(66)52-15-14-47(2,3)16-24(52)23-8-9-29-48(4)12-11-30(57)49(5,21-54)28(48)10-13-50(29,6)51(23,7)17-31(52)58/h8,21-22,24-45,53,55-65H,9-20H2,1-7H3/t22-,24?,25+,26-,27-,28?,29?,30-,31+,32-,33-,34-,35+,36+,37-,38+,39-,40-,41+,42-,43+,44-,45-,48-,49-,50+,51+,52+/m0/s1 |
| InChIKey | PVRCGBKPZQMQAZ-VNTINZEXSA-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 | 1059.210 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1298 |