![28-O-[GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-FUCOPYRANOSYL]-QUILLAIC-ACID](/api/spectrum/2mMZh5C5QK6/structure.png?h=300&w=458 "28-O-[GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-FUCOPYRANOSYL]-QUILLAIC-ACID")
| SpectraBase Compound ID | CFZP4DZBxtz |
|---|---|
| InChI | InChI=1S/C53H84O22/c1-22-32(59)36(63)42(74-45-39(66)41(73-44-38(65)35(62)34(61)27(19-54)71-44)40(23(2)70-45)72-43-37(64)33(60)26(56)20-68-43)46(69-22)75-47(67)53-16-15-48(3,4)17-25(53)24-9-10-29-49(5)13-12-30(57)50(6,21-55)28(49)11-14-51(29,7)52(24,8)18-31(53)58/h9,21-23,25-46,54,56-66H,10-20H2,1-8H3/t22-,23+,25?,26-,27+,28?,29?,30+,31-,32+,33+,34+,35-,36+,37-,38+,39-,40+,41+,42-,43+,44-,45+,46+,49+,50+,51-,52-,53-/m1/s1 |
| InChIKey | HVXIEHBVAAWPOF-SOPWSDFISA-N |
| Mol Weight | 1073.2 g/mol |
| Molecular Formula | C53H84O22 |
| Exact Mass | 1072.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2mMZh5C5QK6 |
|---|---|
| Name | 28-O-[GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-FUCOPYRANOSYL]-QUILLAIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O22 |
| InChI | InChI=1S/C53H84O22/c1-22-32(59)36(63)42(74-45-39(66)41(73-44-38(65)35(62)34(61)27(19-54)71-44)40(23(2)70-45)72-43-37(64)33(60)26(56)20-68-43)46(69-22)75-47(67)53-16-15-48(3,4)17-25(53)24-9-10-29-49(5)13-12-30(57)50(6,21-55)28(49)11-14-51(29,7)52(24,8)18-31(53)58/h9,21-23,25-46,54,56-66H,10-20H2,1-8H3/t22-,23+,25?,26-,27+,28?,29?,30+,31-,32+,33+,34+,35-,36+,37-,38+,39-,40+,41+,42-,43+,44-,45+,46+,49+,50+,51-,52-,53-/m1/s1 |
| InChIKey | HVXIEHBVAAWPOF-SOPWSDFISA-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 | 1073.237 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1296 |