| SpectraBase Compound ID | BMEeh1YcM54 |
|---|---|
| InChI | InChI=1S/C27H30O15.Na/c1-8-2-10-17(21(34)16-11(18(10)31)4-9(29)5-12(16)30)13(3-8)40-27-25(38)23(36)20(33)15(42-27)7-39-26-24(37)22(35)19(32)14(6-28)41-26;/h2-5,14-15,19-20,22-30,32-33,35-38H,6-7H2,1H3;/q;+1/p-1/t14-,15-,19-,20-,22+,23+,24-,25-,26-,27-;/m1./s1 |
| InChIKey | FKSUGMCJRHDUSA-DERSJYEBSA-M |
| Mol Weight | 616.5 g/mol |
| Molecular Formula | C27H29NaO15 |
| Exact Mass | 616.140414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7sLzRzCAXyn |
|---|---|
| Name | SODIUM-EMODIN-1-O-BETA-GENTIOBIOSIDE;POST-ACID-TITRATION |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H29NaO15 |
| InChI | InChI=1S/C27H30O15.Na/c1-8-2-10-17(21(34)16-11(18(10)31)4-9(29)5-12(16)30)13(3-8)40-27-25(38)23(36)20(33)15(42-27)7-39-26-24(37)22(35)19(32)14(6-28)41-26;/h2-5,14-15,19-20,22-30,32-33,35-38H,6-7H2,1H3;/q;+1/p-1/t14-,15-,19-,20-,22+,23+,24-,25-,26-,27-;/m1./s1 |
| InChIKey | FKSUGMCJRHDUSA-DERSJYEBSA-M |
| Literature Reference Author | C.ZHANG,R.WANG,G.TU |
| Literature Reference Citation | MAGN.RES.CHEM.,49,529(2011) |
| Literature Reference DOI | 10.1002/mrc.2771 |
| Molecular Weight | 616.508 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT13103 |