| SpectraBase Compound ID | 4M927kZXogs |
|---|---|
| InChI | InChI=1S/C17H15Br3N2O7S.Na/c18-11-5-9(1-2-15(11)29-30(26,27)28)3-4-21-17(24)14(22-25)8-10-6-12(19)16(23)13(20)7-10;/h1-2,5-7,23,25H,3-4,8H2,(H,21,24)(H,26,27,28);/q;+1/p-1/b22-14-; |
| InChIKey | OWVSJPQYNIQFCS-YDHFHHHVSA-M |
| Mol Weight | 653.07 g/mol |
| Molecular Formula | C17H14Br3N2NaO7S |
| Exact Mass | 649.796955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9G9lIKXgnKy |
|---|---|
| Name | 1-O-SULFATO-HEMIBASTADIN-2 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H13Br3N2NaO7S |
| InChI | InChI=1S/C17H15Br3N2O7S.Na/c18-11-5-9(1-2-15(11)29-30(26,27)28)3-4-21-17(24)14(22-25)8-10-6-12(19)16(23)13(20)7-10;/h1-2,5-7,23,25H,3-4,8H2,(H,21,24)(H,26,27,28);/q;+1/p-1/b22-14-; |
| InChIKey | OWVSJPQYNIQFCS-YDHFHHHVSA-M |
| Literature Reference Author | M.N.MASUNO,A.C.HOEPKER,I.N.PESSAH,T.F.MOLINSKI |
| Literature Reference Citation | MAR.DRUGS,2,176(2004) |
| Literature Reference DOI | 10.3390/md204176 |
| Molecular Weight | 652.061 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ9293 |