| SpectraBase Compound ID | LVnzlU9MFdb |
|---|---|
| InChI | InChI=1S/C29H38O18/c1-11(30)39-10-18-21(41-12(2)31)23(43-14(4)33)24(44-15(5)34)28(46-18)47-27-20-19(17(9-40-27)26(36)38-8)22(42-13(3)32)25(29(20,7)37)45-16(6)35/h9,18-25,27-28,37H,10H2,1-8H3/t18-,19?,20?,21-,22-,23+,24-,25-,27-,28+,29-/m0/s1 |
| InChIKey | AWAIOTDLMMCPMX-SMQQYVLCSA-N |
| Mol Weight | 674.6 g/mol |
| Molecular Formula | C29H38O18 |
| Exact Mass | 674.205814 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2jL3Giwbidw |
|---|---|
| Name | SCHISMOSIDE-HEXAACETATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H38O18 |
| InChI | InChI=1S/C29H38O18/c1-11(30)39-10-18-21(41-12(2)31)23(43-14(4)33)24(44-15(5)34)28(46-18)47-27-20-19(17(9-40-27)26(36)38-8)22(42-13(3)32)25(29(20,7)37)45-16(6)35/h9,18-25,27-28,37H,10H2,1-8H3/t18-,19?,20?,21-,22-,23+,24-,25-,27-,28+,29-/m0/s1 |
| InChIKey | AWAIOTDLMMCPMX-SMQQYVLCSA-N |
| Literature Reference Author | S.DAMTOFT,S.R.JENSEN,B.J.NIELSEN |
| Literature Reference Citation | PHYTOCHEM.,32,885(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85224-F |
| Molecular Weight | 674.610 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU6211 |