![28-O-[(2-COUMAROYLOXY)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/spectrum/3Tjc1NXFexs/structure.png?h=300&w=458 "28-O-[(2-COUMAROYLOXY)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | IZYAy3xIoCK |
|---|---|
| InChI | InChI=1S/C44H62O10/c1-39(2)20-21-44(38(51)54-37-36(35(50)29(46)24-52-37)53-34(49)15-10-25-8-11-26(45)12-9-25)28(22-39)27-13-14-31-41(5)18-17-32(47)40(3,4)30(41)16-19-42(31,6)43(27,7)23-33(44)48/h8-13,15,28-33,35-37,45-48,50H,14,16-24H2,1-7H3/b15-10+/t28?,29?,30?,31?,32-,33+,35-,36+,37-,41-,42+,43+,44+/m0/s1 |
| InChIKey | LIQDNKYOKMLNRE-LLBPOAAWSA-N |
| Mol Weight | 751.0 g/mol |
| Molecular Formula | C44H62O10 |
| Exact Mass | 750.434298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Tjc1NXFexs |
|---|---|
| Name | 28-O-[(2-COUMAROYLOXY)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H62O10 |
| InChI | InChI=1S/C44H62O10/c1-39(2)20-21-44(38(51)54-37-36(35(50)29(46)24-52-37)53-34(49)15-10-25-8-11-26(45)12-9-25)28(22-39)27-13-14-31-41(5)18-17-32(47)40(3,4)30(41)16-19-42(31,6)43(27,7)23-33(44)48/h8-13,15,28-33,35-37,45-48,50H,14,16-24H2,1-7H3/b15-10+/t28?,29?,30?,31?,32-,33+,35-,36+,37-,41-,42+,43+,44+/m0/s1 |
| InChIKey | LIQDNKYOKMLNRE-LLBPOAAWSA-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 | 750.970 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1025 |