| SpectraBase Compound ID | I1X2kWI7tMi |
|---|---|
| InChI | InChI=1S/C24H26Br4N4O9/c25-13-3-23(19(36)17(27)11(13)8-33)5-15(31-40-23)21(38)29-2-1-10(35)7-30-22(39)16-6-24(41-32-16)4-14(26)12(9-34)18(28)20(24)37/h3-4,10,19-20,33-37H,1-2,5-9H2,(H,29,38)(H,30,39)/t10?,19-,20+,23+,24-/m1/s1 |
| InChIKey | FWAXDWLOACAEDU-QSUQWVFRSA-N |
| Mol Weight | 834.11 g/mol |
| Molecular Formula | C24H26Br4N4O9 |
| Exact Mass | 829.84333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HpIpD2fzYNy |
|---|---|
| Name | 11-HYDROXY-AEROTHIONIN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H26Br4N4O9 |
| InChI | InChI=1S/C24H26Br4N4O9/c25-13-3-23(19(36)17(27)11(13)8-33)5-15(31-40-23)21(38)29-2-1-10(35)7-30-22(39)16-6-24(41-32-16)4-14(26)12(9-34)18(28)20(24)37/h3-4,10,19-20,33-37H,1-2,5-9H2,(H,29,38)(H,30,39)/t10?,19-,20+,23+,24-/m1/s1 |
| InChIKey | FWAXDWLOACAEDU-QSUQWVFRSA-N |
| Literature Reference Author | M.R.KERNAN,R.C.CAMBIE,P.R.BERGQUIST |
| Literature Reference Citation | J.NAT.PROD.,53,615(1990) |
| Literature Reference DOI | 10.1021/np50069a012 |
| Molecular Weight | 834.108 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWRU291 |