| SpectraBase Compound ID | 9bihbYk3LAk |
|---|---|
| InChI | InChI=1S/C36H58O13S.Na/c1-19-9-14-36(30(42)48-29-27(41)26(40)25(39)21(17-37)47-29)16-15-33(4)20(28(36)35(19,6)43)7-8-23-31(2)12-11-24(49-50(44,45)46)32(3,18-38)22(31)10-13-34(23,33)5;/h7,19,21-29,37-41,43H,8-18H2,1-6H3,(H,44,45,46);/q;+1/p-1/t19-,21-,22-,23-,24+,25-,26+,27-,28-,29+,31+,32-,33-,34-,35-,36+;/m1./s1 |
| InChIKey | IGJXSSYBFDJRMD-JNJCLNSLSA-M |
| Mol Weight | 752.9 g/mol |
| Molecular Formula | C36H57NaO13S |
| Exact Mass | 752.341757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BMmKXYrBJKF |
|---|---|
| Name | ILEXOSIDE-XXXV;28-O-BETA-D-GLUCOPYRANOSYL-ROTUNDIC-ACID-3-SULPHATE-ESTER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H57NaO13S |
| InChI | InChI=1S/C36H58O13S.Na/c1-19-9-14-36(30(42)48-29-27(41)26(40)25(39)21(17-37)47-29)16-15-33(4)20(28(36)35(19,6)43)7-8-23-31(2)12-11-24(49-50(44,45)46)32(3,18-38)22(31)10-13-34(23,33)5;/h7,19,21-29,37-41,43H,8-18H2,1-6H3,(H,44,45,46);/q;+1/p-1/t19-,21-,22-,23-,24+,25-,26+,27-,28-,29+,31+,32-,33-,34-,35-,36+;/m1./s1 |
| InChIKey | IGJXSSYBFDJRMD-JNJCLNSLSA-M |
| Literature Reference Author | K.AMIMOTO,K.YOSHIKAWA,S.ARIHARA |
| Literature Reference Citation | PHYTOCHEM.,33,1475(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85114-7 |
| Molecular Weight | 752.891 g/mol |
| Solvent | PYRIDINE-D5 |