![28-O-[APIOFURANOSYL-(1->3)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/spectrum/J7w0g85NrOO/structure.png?h=300&w=458 "28-O-[APIOFURANOSYL-(1->3)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | 4IYq9m3iCG |
|---|---|
| InChI | InChI=1S/C46H74O16/c1-22-30(51)33(60-38-35(54)45(56,20-47)21-58-38)32(53)36(59-22)61-34-31(52)25(48)19-57-37(34)62-39(55)46-16-15-40(2,3)17-24(46)23-9-10-27-42(6)13-12-28(49)41(4,5)26(42)11-14-43(27,7)44(23,8)18-29(46)50/h9,22,24-38,47-54,56H,10-21H2,1-8H3/t22-,24?,25-,26?,27?,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38-,42-,43+,44+,45+,46+/m0/s1 |
| InChIKey | ZWQNHPUNJKRBHG-BVBAHRFHSA-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 | J7w0g85NrOO |
|---|---|
| Name | 28-O-[APIOFURANOSYL-(1->3)-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/c1-22-30(51)33(60-38-35(54)45(56,20-47)21-58-38)32(53)36(59-22)61-34-31(52)25(48)19-57-37(34)62-39(55)46-16-15-40(2,3)17-24(46)23-9-10-27-42(6)13-12-28(49)41(4,5)26(42)11-14-43(27,7)44(23,8)18-29(46)50/h9,22,24-38,47-54,56H,10-21H2,1-8H3/t22-,24?,25-,26?,27?,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38-,42-,43+,44+,45+,46+/m0/s1 |
| InChIKey | ZWQNHPUNJKRBHG-BVBAHRFHSA-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 | UWVN1015 |