![3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[GLUCOPYRANOSYL-(1->2)-RHAMNOPYRANOSYL-(1->2)-(4-PARA-METHOXY-CINNAMOYL)-FUCOPYRANOSYL](/api/spectrum/AYYIspN3n3Y/structure.png?h=300&w=458 "3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[GLUCOPYRANOSYL-(1->2)-RHAMNOPYRANOSYL-(1->2)-(4-PARA-METHOXY-CINNAMOYL)-FUCOPYRANOSYL")
| SpectraBase Compound ID | IWsBLbBG4aA |
|---|---|
| InChI | InChI=1S/C70H102O31/c1-29-42(76)47(81)55(98-59-50(84)45(79)43(77)35(26-71)93-59)61(91-29)100-57-52(86)53(96-41(75)17-12-31-10-13-32(90-9)14-11-31)30(2)92-62(57)101-64(89)70-23-22-65(3,4)24-34(70)33-15-16-38-66(5)20-19-40(67(6,28-73)37(66)18-21-68(38,7)69(33,8)25-39(70)74)95-63-56(49(83)48(82)54(97-63)58(87)88)99-60-51(85)46(80)44(78)36(27-72)94-60/h10-15,17,28-30,34-40,42-57,59-63,71-72,74,76-86H,16,18-27H2,1-9H3,(H,87,88)/b17-12+/t29-,30+,34?,35+,36+,37?,38?,39+,40-,42-,43+,44-,45-,46-,47+,48-,49-,50+,51+,52-,53-,54-,55+,56+,57+,59-,60-,61-,62-,63+,66-,67-,68+,69+,70+/m0/s1 |
| InChIKey | LSMOUWSXOHAEBI-JGUXWURRSA-N |
| Mol Weight | 1439.6 g/mol |
| Molecular Formula | C70H102O31 |
| Exact Mass | 1438.640506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AYYIspN3n3Y |
|---|---|
| Name | 3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[GLUCOPYRANOSYL-(1->2)-RHAMNOPYRANOSYL-(1->2)-(4-PARA-METHOXY-CINNAMOYL)-FUCOPYRANOSYL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H102O31 |
| InChI | InChI=1S/C70H102O31/c1-29-42(76)47(81)55(98-59-50(84)45(79)43(77)35(26-71)93-59)61(91-29)100-57-52(86)53(96-41(75)17-12-31-10-13-32(90-9)14-11-31)30(2)92-62(57)101-64(89)70-23-22-65(3,4)24-34(70)33-15-16-38-66(5)20-19-40(67(6,28-73)37(66)18-21-68(38,7)69(33,8)25-39(70)74)95-63-56(49(83)48(82)54(97-63)58(87)88)99-60-51(85)46(80)44(78)36(27-72)94-60/h10-15,17,28-30,34-40,42-57,59-63,71-72,74,76-86H,16,18-27H2,1-9H3,(H,87,88)/b17-12+/t29-,30+,34?,35+,36+,37?,38?,39+,40-,42-,43+,44-,45-,46-,47+,48-,49-,50+,51+,52-,53-,54-,55+,56+,57+,59-,60-,61-,62-,63+,66-,67-,68+,69+,70+/m0/s1 |
| InChIKey | LSMOUWSXOHAEBI-JGUXWURRSA-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 | 1439.561 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1317 |