| SpectraBase Compound ID | 9IU7ftY1VyV |
|---|---|
| InChI | InChI=1S/C27H30O16/c1-8-15(31)25(43-26-21(37)19(35)16(32)13(7-28)41-26)22(38)27(39-8)40-12-6-11(30)14-18(34)20(36)23(42-24(14)17(12)33)9-2-4-10(29)5-3-9/h2-6,8,13,15-16,19,21-22,25-33,35-38H,7H2,1H3/t8-,13+,15-,16+,19-,21+,22+,25+,26-,27-/m0/s1 |
| InChIKey | WXBBQBYCUTXTJQ-ULMXTSOFSA-N |
| Mol Weight | 610.52 g/mol |
| Molecular Formula | C27H30O16 |
| Exact Mass | 610.153385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HNZcXkdN6fT |
|---|---|
| Name | RHODIOSIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O16 |
| InChI | InChI=1S/C27H30O16/c1-8-15(31)25(43-26-21(37)19(35)16(32)13(7-28)41-26)22(38)27(39-8)40-12-6-11(30)14-18(34)20(36)23(42-24(14)17(12)33)9-2-4-10(29)5-3-9/h2-6,8,13,15-16,19,21-22,25-33,35-38H,7H2,1H3/t8-,13+,15-,16+,19-,21+,22+,25+,26-,27-/m0/s1 |
| InChIKey | WXBBQBYCUTXTJQ-ULMXTSOFSA-N |
| Literature Reference Author | Y.-J.PAN,R.WANG,S.-N.CHEN,Y.-Z.CHEN |
| Literature Reference Citation | PLANTA.MED.,59,80(1993) |
| Literature Reference DOI | 10.1055/s-2006-959610 |
| Molecular Weight | 610.526 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UIAP423 |