| SpectraBase Compound ID | GG6j5Z8XHID |
|---|---|
| InChI | InChI=1S/C17H16Br2N2O7S.Na/c18-12-8-11(1-3-15(12)22)9-14(21-24)17(23)20-6-5-10-2-4-16(13(19)7-10)28-29(25,26)27;/h1-4,7-8,22,24H,5-6,9H2,(H,20,23)(H,25,26,27);/q;+1/p-1/b21-14-; |
| InChIKey | BENHQKRTPVASPR-UXTSPRGOSA-M |
| Mol Weight | 574.17 g/mol |
| Molecular Formula | C17H15Br2N2NaO7S |
| Exact Mass | 571.886442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5QWPSRoUkHd |
|---|---|
| Name | 1-O-SULFATO-HEMIBASTADIN-1 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H14Br2N2NaO7S |
| InChI | InChI=1S/C17H16Br2N2O7S.Na/c18-12-8-11(1-3-15(12)22)9-14(21-24)17(23)20-6-5-10-2-4-16(13(19)7-10)28-29(25,26)27;/h1-4,7-8,22,24H,5-6,9H2,(H,20,23)(H,25,26,27);/q;+1/p-1/b21-14-; |
| InChIKey | BENHQKRTPVASPR-UXTSPRGOSA-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 | 573.165 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ9292 |