![28-O-[GLUCOPYRANOSYL-(1->3)-2-[GLUCOPYRANOSYL-(1->4)-COUMAROYLOXY]-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/spectrum/69Ho0q23T6E/structure.png?h=300&w=458 "28-O-[GLUCOPYRANOSYL-(1->3)-2-[GLUCOPYRANOSYL-(1->4)-COUMAROYLOXY]-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | JSpGbXl5yHV |
|---|---|
| InChI | InChI=1S/C56H82O20/c1-51(2)20-21-56(30(22-51)29-13-14-35-53(5)18-17-36(60)52(3,4)34(53)16-19-54(35,6)55(29,7)23-37(56)61)50(69)76-49-46(45(31(59)26-70-49)75-48-44(68)42(66)40(64)33(25-58)73-48)74-38(62)15-10-27-8-11-28(12-9-27)71-47-43(67)41(65)39(63)32(24-57)72-47/h8-13,15,30-37,39-49,57-61,63-68H,14,16-26H2,1-7H3/b15-10+/t30?,31-,32-,33-,34?,35?,36+,37-,39-,40-,41+,42+,43-,44-,45+,46-,47-,48+,49+,53+,54-,55-,56-/m1/s1 |
| InChIKey | FHXCKSCAVVICTO-QWASOJGCSA-N |
| Mol Weight | 1075.3 g/mol |
| Molecular Formula | C56H82O20 |
| Exact Mass | 1074.539945 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69Ho0q23T6E |
|---|---|
| Name | 28-O-[GLUCOPYRANOSYL-(1->3)-2-[GLUCOPYRANOSYL-(1->4)-COUMAROYLOXY]-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H82O20 |
| InChI | InChI=1S/C56H82O20/c1-51(2)20-21-56(30(22-51)29-13-14-35-53(5)18-17-36(60)52(3,4)34(53)16-19-54(35,6)55(29,7)23-37(56)61)50(69)76-49-46(45(31(59)26-70-49)75-48-44(68)42(66)40(64)33(25-58)73-48)74-38(62)15-10-27-8-11-28(12-9-27)71-47-43(67)41(65)39(63)32(24-57)72-47/h8-13,15,30-37,39-49,57-61,63-68H,14,16-26H2,1-7H3/b15-10+/t30?,31-,32-,33-,34?,35?,36+,37-,39-,40-,41+,42+,43-,44-,45+,46-,47-,48+,49+,53+,54-,55-,56-/m1/s1 |
| InChIKey | FHXCKSCAVVICTO-QWASOJGCSA-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 | 1075.255 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1034 |