![28-O-[(2-FERULOYLOXY)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/spectrum/3Z3dXjKvM8u/structure.png?h=300&w=458 "28-O-[(2-FERULOYLOXY)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | BNLWSbOshNc |
|---|---|
| InChI | InChI=1S/C45H64O11/c1-40(2)19-20-45(39(52)56-38-37(36(51)29(47)24-54-38)55-35(50)14-10-25-9-12-28(46)30(21-25)53-8)27(22-40)26-11-13-32-42(5)17-16-33(48)41(3,4)31(42)15-18-43(32,6)44(26,7)23-34(45)49/h9-12,14,21,27,29,31-34,36-38,46-49,51H,13,15-20,22-24H2,1-8H3/b14-10+/t27?,29-,31?,32?,33+,34-,36+,37-,38+,42+,43-,44-,45-/m1/s1 |
| InChIKey | LJQIUFAEIHHGKJ-KEBURGFCSA-N |
| Mol Weight | 781.0 g/mol |
| Molecular Formula | C45H64O11 |
| Exact Mass | 780.444863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Z3dXjKvM8u |
|---|---|
| Name | 28-O-[(2-FERULOYLOXY)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H64O11 |
| InChI | InChI=1S/C45H64O11/c1-40(2)19-20-45(39(52)56-38-37(36(51)29(47)24-54-38)55-35(50)14-10-25-9-12-28(46)30(21-25)53-8)27(22-40)26-11-13-32-42(5)17-16-33(48)41(3,4)31(42)15-18-43(32,6)44(26,7)23-34(45)49/h9-12,14,21,27,29,31-34,36-38,46-49,51H,13,15-20,22-24H2,1-8H3/b14-10+/t27?,29-,31?,32?,33+,34-,36+,37-,38+,42+,43-,44-,45-/m1/s1 |
| InChIKey | LJQIUFAEIHHGKJ-KEBURGFCSA-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 | 780.997 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1026 |