| SpectraBase Compound ID | I7L8gJIbvTa |
|---|---|
| InChI | InChI=1S/C27H32O16/c28-7-12-16(32)19(35)21(37)23(42-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(39)27(41,25(15)40)26-22(38)20(36)17(33)13(8-29)43-26/h1-6,12-13,16-17,19-23,26,28-30,32-33,35-41H,7-8H2/b6-3+/t12-,13+,16-,17+,19+,20-,21-,22+,23+,26-,27?/m1/s1 |
| InChIKey | LIPJRCGLQNIXGO-RNQGJDBASA-N |
| Mol Weight | 612.5 g/mol |
| Molecular Formula | C27H32O16 |
| Exact Mass | 612.169035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1QQdkhC9BF1 |
|---|---|
| Name | HSYA;HYDROXY-SAFFLOR-YELLOW-A;1-ENOL-3,7-DIKETO-FORM;REFERENCE-6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32O16 |
| InChI | InChI=1S/C27H32O16/c28-7-12-16(32)19(35)21(37)23(42-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(39)27(41,25(15)40)26-22(38)20(36)17(33)13(8-29)43-26/h1-6,12-13,16-17,19-23,26,28-30,32-33,35-41H,7-8H2/b6-3+/t12-,13+,16-,17+,19+,20-,21-,22+,23+,26-,27?/m1/s1 |
| InChIKey | LIPJRCGLQNIXGO-RNQGJDBASA-N |
| Literature Reference Author | S.YUE,Y.TANG,S.LI,J.A.DUAN |
| Literature Reference Citation | MOLECULES,18,15220(2013) |
| Literature Reference DOI | 10.3390/molecules181215220 |
| Molecular Weight | 612.541 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWIR9968 |