| SpectraBase Compound ID | 5urtbPxweFU |
|---|---|
| InChI | InChI=1S/C24H26Br4N4O10/c1-39-17-9(25)3-23(19(35)15(17)27)5-11(31-41-23)21(37)29-7-13(33)14(34)8-30-22(38)12-6-24(42-32-12)4-10(26)18(40-2)16(28)20(24)36/h3-4,13-14,19-20,33-36H,5-8H2,1-2H3,(H,29,37)(H,30,38) |
| InChIKey | DFLWEHSTGDSEII-UHFFFAOYSA-N |
| Mol Weight | 850.11 g/mol |
| Molecular Formula | C24H26Br4N4O10 |
| Exact Mass | 845.838245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7cCTDMDZNh4 |
|---|---|
| Name | DIHYDROXY-AEROTHIONIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H26Br4N4O10 |
| InChI | InChI=1S/C24H26Br4N4O10/c1-39-17-9(25)3-23(19(35)15(17)27)5-11(31-41-23)21(37)29-7-13(33)14(34)8-30-22(38)12-6-24(42-32-12)4-10(26)18(40-2)16(28)20(24)36/h3-4,13-14,19-20,33-36H,5-8H2,1-2H3,(H,29,37)(H,30,38) |
| InChIKey | DFLWEHSTGDSEII-UHFFFAOYSA-N |
| Literature Reference Author | M.GUNASEKERA,S.P.GUNASEKERA |
| Literature Reference Citation | J.NAT.PROD.,52,753(1989) |
| Literature Reference DOI | 10.1021/np50064a014 |
| Molecular Weight | 850.107 g/mol |
| Solvent | ACETONE-D6:CF3COOH=99:1 |
| Source File Reference | UWTS86 |