![28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-[QUINOVOPYRANOSYL-(1->2)]-FUCOPYRANOSYL]-QUILLAIC-ACID](/api/spectrum/JWaRB10XPTm/structure.png?h=300&w=458 "28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-[QUINOVOPYRANOSYL-(1->2)]-FUCOPYRANOSYL]-QUILLAIC-ACID")
| SpectraBase Compound ID | LwZZT5WDsFe |
|---|---|
| InChI | InChI=1S/C58H92O25/c1-23-34(64)36(66)39(69)49(76-23)82-46-41(71)44(80-50-40(70)37(67)43(24(2)77-50)79-48-42(72)45(29(61)21-75-48)81-47-38(68)35(65)28(60)20-74-47)25(3)78-51(46)83-52(73)58-17-16-53(4,5)18-27(58)26-10-11-31-54(6)14-13-32(62)55(7,22-59)30(54)12-15-56(31,8)57(26,9)19-33(58)63/h10,22-25,27-51,60-72H,11-21H2,1-9H3/t23-,24+,25-,27?,28+,29+,30?,31?,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49+,50+,51+,54+,55+,56-,57-,58-/m1/s1 |
| InChIKey | VGMQFUSWIWYIPK-RNVGDEOFSA-N |
| Mol Weight | 1189.3 g/mol |
| Molecular Formula | C58H92O25 |
| Exact Mass | 1188.592768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JWaRB10XPTm |
|---|---|
| Name | 28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-[QUINOVOPYRANOSYL-(1->2)]-FUCOPYRANOSYL]-QUILLAIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H92O25 |
| InChI | InChI=1S/C58H92O25/c1-23-34(64)36(66)39(69)49(76-23)82-46-41(71)44(80-50-40(70)37(67)43(24(2)77-50)79-48-42(72)45(29(61)21-75-48)81-47-38(68)35(65)28(60)20-74-47)25(3)78-51(46)83-52(73)58-17-16-53(4,5)18-27(58)26-10-11-31-54(6)14-13-32(62)55(7,22-59)30(54)12-15-56(31,8)57(26,9)19-33(58)63/h10,22-25,27-51,60-72H,11-21H2,1-9H3/t23-,24+,25-,27?,28+,29+,30?,31?,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49+,50+,51+,54+,55+,56-,57-,58-/m1/s1 |
| InChIKey | VGMQFUSWIWYIPK-RNVGDEOFSA-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 | 1189.353 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1295 |