![28-O-[(2-FERULOYLOXY-4-GLUCOPYRANOSYL)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/spectrum/GPz6WgcnVA1/structure.png?h=300&w=458 "28-O-[(2-FERULOYLOXY-4-GLUCOPYRANOSYL)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | 3fChq7rYgrN |
|---|---|
| InChI | InChI=1S/C51H74O16/c1-46(2)19-20-51(28(22-46)27-11-13-34-48(5)17-16-35(54)47(3,4)33(48)15-18-49(34,6)50(27,7)23-36(51)55)45(61)67-44-42(38(57)29(53)25-63-44)66-37(56)14-10-26-9-12-30(31(21-26)62-8)64-43-41(60)40(59)39(58)32(24-52)65-43/h9-12,14,21,28-29,32-36,38-44,52-55,57-60H,13,15-20,22-25H2,1-8H3/b14-10+/t28?,29?,32-,33?,34?,35-,36+,38-,39-,40+,41-,42+,43-,44-,48-,49+,50+,51+/m0/s1 |
| InChIKey | UFBRKWJWOOIQHI-LFAAIUAMSA-N |
| Mol Weight | 943.1 g/mol |
| Molecular Formula | C51H74O16 |
| Exact Mass | 942.497686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GPz6WgcnVA1 |
|---|---|
| Name | 28-O-[(2-FERULOYLOXY-4-GLUCOPYRANOSYL)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H74O16 |
| InChI | InChI=1S/C51H74O16/c1-46(2)19-20-51(28(22-46)27-11-13-34-48(5)17-16-35(54)47(3,4)33(48)15-18-49(34,6)50(27,7)23-36(51)55)45(61)67-44-42(38(57)29(53)25-63-44)66-37(56)14-10-26-9-12-30(31(21-26)62-8)64-43-41(60)40(59)39(58)32(24-52)65-43/h9-12,14,21,28-29,32-36,38-44,52-55,57-60H,13,15-20,22-25H2,1-8H3/b14-10+/t28?,29?,32-,33?,34?,35-,36+,38-,39-,40+,41-,42+,43-,44-,48-,49+,50+,51+/m0/s1 |
| InChIKey | UFBRKWJWOOIQHI-LFAAIUAMSA-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 | 943.139 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1027 |