| SpectraBase Compound ID | D8Fz4xIbW1C |
|---|---|
| InChI | InChI=1S/C30H14Cl2O8/c1-5-3-7(33)11-13-9(5)10-6(2)4-8(34)12-14(10)16-15(13)17-19(27(37)23(31)29(39)21(17)25(11)35)20-18(16)22(26(12)36)30(40)24(32)28(20)38/h3-4,33-34,37-40H,1-2H3 |
| InChIKey | LSIBZKFIGHWSFC-UHFFFAOYSA-N |
| Mol Weight | 573.34 g/mol |
| Molecular Formula | C30H14Cl2O8 |
| Exact Mass | 572.006573 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DqpZdZ1CCVB |
|---|---|
| Name | 7,7'-DICHLOROHYPERICIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H14Cl2O8 |
| InChI | InChI=1S/C30H14Cl2O8/c1-5-3-7(33)11-13-9(5)10-6(2)4-8(34)12-14(10)16-15(13)17-19(27(37)23(31)29(39)21(17)25(11)35)20-18(16)22(26(12)36)30(40)24(32)28(20)38/h3-4,33-34,37-40H,1-2H3 |
| InChIKey | LSIBZKFIGHWSFC-UHFFFAOYSA-N |
| Literature Reference Author | P.A.COHEN,G.H.N.TOWERS |
| Literature Reference Citation | J.NAT.PROD.,58,520(1995) |
| Literature Reference DOI | 10.1021/np50118a006 |
| Molecular Weight | 573.342 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWPR1425 |