![28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/spectrum/6gYok1L0sKU/structure.png?h=300&w=458 "28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | 9RFdOLlQkHE |
|---|---|
| InChI | InChI=1S/C46H74O16/c1-21-35(60-37-33(54)30(51)24(47)19-57-37)32(53)34(55)38(59-21)61-36-31(52)25(48)20-58-39(36)62-40(56)46-16-15-41(2,3)17-23(46)22-9-10-27-43(6)13-12-28(49)42(4,5)26(43)11-14-44(27,7)45(22,8)18-29(46)50/h9,21,23-39,47-55H,10-20H2,1-8H3/t21-,23?,24-,25-,26?,27?,28-,29+,30+,31-,32-,33-,34+,35-,36+,37+,38-,39-,43-,44+,45+,46+/m0/s1 |
| InChIKey | VKBICKSVUZCERB-QFEPPPNQSA-N |
| Mol Weight | 883.1 g/mol |
| Molecular Formula | C46H74O16 |
| Exact Mass | 882.497686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6gYok1L0sKU |
|---|---|
| Name | 28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H74O16 |
| InChI | InChI=1S/C46H74O16/c1-21-35(60-37-33(54)30(51)24(47)19-57-37)32(53)34(55)38(59-21)61-36-31(52)25(48)20-58-39(36)62-40(56)46-16-15-41(2,3)17-23(46)22-9-10-27-43(6)13-12-28(49)42(4,5)26(43)11-14-44(27,7)45(22,8)18-29(46)50/h9,21,23-39,47-55H,10-20H2,1-8H3/t21-,23?,24-,25-,26?,27?,28-,29+,30+,31-,32-,33-,34+,35-,36+,37+,38-,39-,43-,44+,45+,46+/m0/s1 |
| InChIKey | VKBICKSVUZCERB-QFEPPPNQSA-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 | 883.084 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1024 |