![G2;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[ARABINOPYRANOSYL-(1->4)-ARABINOPYRANOSYL-(1->3](/api/spectrum/9shdQGwaf1V/structure.png?h=300&w=458 "G2;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[ARABINOPYRANOSYL-(1->4)-ARABINOPYRANOSYL-(1->3")
| SpectraBase Compound ID | JMURV69XyZa |
|---|---|
| InChI | InChI=1S/C74H116O40/c1-25-38(81)44(87)57(112-64-50(93)45(88)53(26(2)104-64)108-63-52(95)54(31(79)22-101-63)109-62-48(91)42(85)33(23-102-62)106-60-46(89)39(82)29(77)20-99-60)66(103-25)114-68(98)74-16-15-69(3,4)17-28(74)27-9-10-35-70(5)13-12-37(71(6,24-76)34(70)11-14-72(35,7)73(27,8)18-36(74)80)107-67-58(113-65-49(92)43(86)41(84)32(19-75)105-65)55(51(94)56(111-67)59(96)97)110-61-47(90)40(83)30(78)21-100-61/h9,24-26,28-58,60-67,75,77-95H,10-23H2,1-8H3,(H,96,97)/t25-,26+,28?,29-,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+,60-,61-,62-,63-,64+,65+,66+,67+,70+,71+,72-,73-,74-/m1/s1 |
| InChIKey | FECSWRAMYKAHTM-JKJRTNMHSA-N |
| Mol Weight | 1645.7 g/mol |
| Molecular Formula | C74H116O40 |
| Exact Mass | 1644.704288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9shdQGwaf1V |
|---|---|
| Name | G2;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[ARABINOPYRANOSYL-(1->4)-ARABINOPYRANOSYL-(1->3 |
| Compound Number | 72 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H116O40 |
| InChI | InChI=1S/C74H116O40/c1-25-38(81)44(87)57(112-64-50(93)45(88)53(26(2)104-64)108-63-52(95)54(31(79)22-101-63)109-62-48(91)42(85)33(23-102-62)106-60-46(89)39(82)29(77)20-99-60)66(103-25)114-68(98)74-16-15-69(3,4)17-28(74)27-9-10-35-70(5)13-12-37(71(6,24-76)34(70)11-14-72(35,7)73(27,8)18-36(74)80)107-67-58(113-65-49(92)43(86)41(84)32(19-75)105-65)55(51(94)56(111-67)59(96)97)110-61-47(90)40(83)30(78)21-100-61/h9,24-26,28-58,60-67,75,77-95H,10-23H2,1-8H3,(H,96,97)/t25-,26+,28?,29-,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+,60-,61-,62-,63-,64+,65+,66+,67+,70+,71+,72-,73-,74-/m1/s1 |
| InChIKey | FECSWRAMYKAHTM-JKJRTNMHSA-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 | 1645.711 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1312 |