![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/10bca6QfOC7/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 | Ac199JrYork |
|---|---|
| InChI | InChI=1S/C74H114O39/c1-26-53(107-61-47(89)40(82)32(79)22-99-61)46(88)51(93)63(101-26)112-59-57(110-65-50(92)45(87)43(85)35(105-65)24-98-28(3)77)54(103-29(4)78)27(2)102-66(59)113-68(97)74-18-17-69(5,6)19-31(74)30-11-12-37-70(7)15-14-39(71(8,25-76)36(70)13-16-72(37,9)73(30,10)20-38(74)81)106-67-58(111-64-49(91)44(86)42(84)34(21-75)104-64)55(52(94)56(109-67)60(95)96)108-62-48(90)41(83)33(80)23-100-62/h11,25-27,31-59,61-67,75,79-94H,12-24H2,1-10H3,(H,95,96)/t26-,27+,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+,61+,62+,63-,64-,65-,66-,67-,70?,71-,72?,73?,74+/m0/s1 |
| InChIKey | HQXVDKYGUHXBNZ-COADSUGVSA-N |
| Mol Weight | 1627.7 g/mol |
| Molecular Formula | C74H114O39 |
| Exact Mass | 1626.693724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10bca6QfOC7 |
|---|---|
| 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 | 15B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H114O39 |
| InChI | InChI=1S/C74H114O39/c1-26-53(107-61-47(89)40(82)32(79)22-99-61)46(88)51(93)63(101-26)112-59-57(110-65-50(92)45(87)43(85)35(105-65)24-98-28(3)77)54(103-29(4)78)27(2)102-66(59)113-68(97)74-18-17-69(5,6)19-31(74)30-11-12-37-70(7)15-14-39(71(8,25-76)36(70)13-16-72(37,9)73(30,10)20-38(74)81)106-67-58(111-64-49(91)44(86)42(84)34(21-75)104-64)55(52(94)56(109-67)60(95)96)108-62-48(90)41(83)33(80)23-100-62/h11,25-27,31-59,61-67,75,79-94H,12-24H2,1-10H3,(H,95,96)/t26-,27+,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+,61+,62+,63-,64-,65-,66-,67-,70?,71-,72?,73?,74+/m0/s1 |
| InChIKey | HQXVDKYGUHXBNZ-COADSUGVSA-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 | 1627.696 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU1384 |