| SpectraBase Compound ID | K9uS2D9blV |
|---|---|
| InChI | InChI=1S/C30H16O20S4/c1-3-5-6-4(2)28(52(42,43)44)24(36)16-8(6)10-9-7(5)15(23(35)27(3)51(39,40)41)19(31)17-11(9)13(21(33)29(25(17)37)53(45,46)47)14-12(10)18(20(16)32)26(38)30(22(14)34)54(48,49)50/h33-38H,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50) |
| InChIKey | UWXFPIYKWLAWCH-UHFFFAOYSA-N |
| Mol Weight | 824.7 g/mol |
| Molecular Formula | C30H16O20S4 |
| Exact Mass | 823.911778 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUiLavFbtQn |
|---|---|
| Name | HYPERICIN-2,5,9,12-TETRA-SULFONIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H16O20S4 |
| InChI | InChI=1S/C30H16O20S4/c1-3-5-6-4(2)28(52(42,43)44)24(36)16-8(6)10-9-7(5)15(23(35)27(3)51(39,40)41)19(31)17-11(9)13(21(33)29(25(17)37)53(45,46)47)14-12(10)18(20(16)32)26(38)30(22(14)34)54(48,49)50/h33-38H,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50) |
| InChIKey | UWXFPIYKWLAWCH-UHFFFAOYSA-N |
| Literature Reference Author | H.FALK,A.E.W.A.O.SARHAN,H.T.N.TRAN,R.ALTMANN |
| Literature Reference Citation | MH.CHEM.,129,309(1998) |
| Literature Reference DOI | 10.1007/s007060050052 |
| Molecular Weight | 824.685 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRU2698 |