![3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-[6-BUTYL]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID](/api/spectrum/3vstvWDk7oc/structure.png?h=300&w=458 "3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-[6-BUTYL]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID")
| SpectraBase Compound ID | EeUMJGlk4fS |
|---|---|
| InChI | InChI=1S/C51H80O20/c1-8-9-18-65-41(62)39-37(61)38(69-42-35(59)32(56)26(54)22-66-42)40(71-43-36(60)34(58)33(57)27(21-52)67-43)44(70-39)68-31-13-14-47(4)28(48(31,5)23-53)12-15-49(6)29(47)11-10-24-25-19-46(2,3)16-17-51(25,45(63)64)30(55)20-50(24,49)7/h10,23,25-40,42-44,52,54-61H,8-9,11-22H2,1-7H3,(H,63,64)/t25?,26-,27+,28?,29?,30-,31+,32+,33-,34-,35-,36+,37+,38+,39?,40-,42+,43-,44-,47+,48+,49-,50-,51-/m1/s1 |
| InChIKey | JCJMROYTZOWAKV-BGOVLKSSSA-N |
| Mol Weight | 1013.2 g/mol |
| Molecular Formula | C51H80O20 |
| Exact Mass | 1012.524295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3vstvWDk7oc |
|---|---|
| Name | 3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-[6-BUTYL]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H80O20 |
| InChI | InChI=1S/C51H80O20/c1-8-9-18-65-41(62)39-37(61)38(69-42-35(59)32(56)26(54)22-66-42)40(71-43-36(60)34(58)33(57)27(21-52)67-43)44(70-39)68-31-13-14-47(4)28(48(31,5)23-53)12-15-49(6)29(47)11-10-24-25-19-46(2,3)16-17-51(25,45(63)64)30(55)20-50(24,49)7/h10,23,25-40,42-44,52,54-61H,8-9,11-22H2,1-7H3,(H,63,64)/t25?,26-,27+,28?,29?,30-,31+,32+,33-,34-,35-,36+,37+,38+,39?,40-,42+,43-,44-,47+,48+,49-,50-,51-/m1/s1 |
| InChIKey | JCJMROYTZOWAKV-BGOVLKSSSA-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 | 1013.184 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1293 |