| SpectraBase Compound ID | JoP2lvLfi5i |
|---|---|
| InChI | InChI=1S/C27H44O13/c1-12(2)17(29)24(35)40-16-7-9-27(36,11-38-25-21(33)20(32)19(31)15(10-28)39-25)22-18(30)14(6-8-26(16,22)4)13(3)23(34)37-5/h12,14-22,25,28-33,36H,3,6-11H2,1-2,4-5H3/t14-,15-,16+,17?,18-,19-,20+,21-,22+,25-,26-,27+/m1/s1 |
| InChIKey | IIVAJNCEGDSBTE-DZTJGYSMSA-N |
| Mol Weight | 576.6 g/mol |
| Molecular Formula | C27H44O13 |
| Exact Mass | 576.278191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GE7GeOrcUVH |
|---|---|
| Name | IXERISOSIDE-J |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O13 |
| InChI | InChI=1S/C27H44O13/c1-12(2)17(29)24(35)40-16-7-9-27(36,11-38-25-21(33)20(32)19(31)15(10-28)39-25)22-18(30)14(6-8-26(16,22)4)13(3)23(34)37-5/h12,14-22,25,28-33,36H,3,6-11H2,1-2,4-5H3/t14-,15-,16+,17?,18-,19-,20+,21-,22+,25-,26-,27+/m1/s1 |
| InChIKey | IIVAJNCEGDSBTE-DZTJGYSMSA-N |
| Literature Reference Author | T.WARASHINA,M.ISHINO,T.MIYASE,A.UENO |
| Literature Reference Citation | PHYTOCHEM.,29,3217(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80188-M |
| Molecular Weight | 576.639 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWKP6859 |