![3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[BETA-D-XYLOPYRANOSYL-(1->4)-[BET](/api/spectrum/8NbAgiLn0b4/structure.png?h=300&w=458 "3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[BETA-D-XYLOPYRANOSYL-(1->4)-[BET")
| SpectraBase Compound ID | KoLD4HPTbtF |
|---|---|
| InChI | InChI=1S/C78H122O43/c1-26-55(114-64-48(95)40(87)31(84)23-105-64)58(116-66-50(97)45(92)42(89)33(20-79)110-66)54(101)69(107-26)120-62-60(118-67-51(98)46(93)43(90)34(21-80)111-67)56(109-28(3)83)27(2)108-70(62)121-72(104)78-17-16-73(4,5)18-30(78)29-10-11-37-74(6)14-13-39(75(7,25-82)36(74)12-15-76(37,8)77(29,9)19-38(78)86)113-71-61(119-68-52(99)47(94)44(91)35(22-81)112-68)57(53(100)59(117-71)63(102)103)115-65-49(96)41(88)32(85)24-106-65/h10,25-27,30-62,64-71,79-81,84-101H,11-24H2,1-9H3,(H,102,103)/t26-,27+,30-,31+,32+,33-,34+,35+,36?,37?,38+,39-,40-,41-,42-,43+,44-,45+,46-,47-,48+,49+,50-,51+,52+,53-,54+,55-,56-,57-,58-,59-,60-,61+,62+,64-,65-,66?,67-,68-,69-,70-,71+,74?,75-,76?,77?,78+/m0/s1 |
| InChIKey | FJIPBFYLXJVQNV-CNBBKOSNSA-N |
| Mol Weight | 1747.8 g/mol |
| Molecular Formula | C78H122O43 |
| Exact Mass | 1746.735983 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8NbAgiLn0b4 |
|---|---|
| Name | 3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[BETA-D-XYLOPYRANOSYL-(1->4)-[BET |
| Compound Number | 14B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H122O43 |
| InChI | InChI=1S/C78H122O43/c1-26-55(114-64-48(95)40(87)31(84)23-105-64)58(116-66-50(97)45(92)42(89)33(20-79)110-66)54(101)69(107-26)120-62-60(118-67-51(98)46(93)43(90)34(21-80)111-67)56(109-28(3)83)27(2)108-70(62)121-72(104)78-17-16-73(4,5)18-30(78)29-10-11-37-74(6)14-13-39(75(7,25-82)36(74)12-15-76(37,8)77(29,9)19-38(78)86)113-71-61(119-68-52(99)47(94)44(91)35(22-81)112-68)57(53(100)59(117-71)63(102)103)115-65-49(96)41(88)32(85)24-106-65/h10,25-27,30-62,64-71,79-81,84-101H,11-24H2,1-9H3,(H,102,103)/t26-,27+,30-,31+,32+,33-,34+,35+,36?,37?,38+,39-,40-,41-,42-,43+,44-,45+,46-,47-,48+,49+,50-,51+,52+,53-,54+,55-,56-,57-,58-,59-,60-,61+,62+,64-,65-,66?,67-,68-,69-,70-,71+,74?,75-,76?,77?,78+/m0/s1 |
| InChIKey | FJIPBFYLXJVQNV-CNBBKOSNSA-N |
| Literature Reference Author | S.GUO,L.KENNA |
| Literature Reference Citation | PHYTOCHEM.,54,615(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00161-8 |
| Molecular Weight | 1747.801 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU1382 |