| SpectraBase Compound ID | Hzt99wfywtj |
|---|---|
| InChI | InChI=1S/C25H26Br4N4O9/c1-39-18-12(26)6-24(20(35)16(18)28)8-14(32-41-24)22(37)30-5-3-4-11(34)10-31-23(38)15-9-25(42-33-15)7-13(27)19(40-2)17(29)21(25)36/h6-7,20-21,35-36H,3-5,8-10H2,1-2H3,(H,30,37)(H,31,38)/t20-,21-,24+,25+/m0/s1 |
| InChIKey | HTJRTHIVZLJNBR-KXTAGPOFSA-N |
| Mol Weight | 846.12 g/mol |
| Molecular Formula | C25H26Br4N4O9 |
| Exact Mass | 841.84333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GXUDvCYzrbE |
|---|---|
| Name | OXO-HOMOAEROTHIONIN |
| Compound Number | 44 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H26Br4N4O9 |
| InChI | InChI=1S/C25H26Br4N4O9/c1-39-18-12(26)6-24(20(35)16(18)28)8-14(32-41-24)22(37)30-5-3-4-11(34)10-31-23(38)15-9-25(42-33-15)7-13(27)19(40-2)17(29)21(25)36/h6-7,20-21,35-36H,3-5,8-10H2,1-2H3,(H,30,37)(H,31,38)/t20-,21-,24+,25+/m0/s1 |
| InChIKey | HTJRTHIVZLJNBR-KXTAGPOFSA-N |
| Literature Reference Author | N.S.LIRA,R.C.MONTES,J.F.TAVARES,M.S.D.SILVA,E.V.L.D.CUNHA,P. F.D.ATHAYDE-FILHO |
| Literature Reference Citation | MAR.DRUGS,9,2316(2011) |
| Literature Reference DOI | 10.3390/md9112316 |
| Molecular Weight | 846.119 g/mol |
| Source File Reference | UWBT6916 |