| SpectraBase Compound ID | 1nIlmE3hSyr |
|---|---|
| InChI | InChI=1S/C34H26Br4N4O11S/c35-21-9-17-1-3-27(21)51-29-15-18(2-4-28(29)53-54(48,49)50)6-8-40-33(44)25(41-46)13-19-11-23(37)32(24(38)12-19)52-30-16-20(10-22(36)31(30)43)14-26(42-47)34(45)39-7-5-17/h1-5,7,9-12,15-16,43,46-47H,6,8,13-14H2,(H,39,45)(H,40,44)(H,48,49,50)/p-1/b7-5+,41-25+,42-26+ |
| InChIKey | ZTKIGVVADIRILR-HIHPLZGUSA-M |
| Mol Weight | 1017.3 g/mol |
| Molecular Formula | C34H25Br4N4O11S |
| Exact Mass | 1012.797406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7euDozsDfWO |
|---|---|
| Name | 15-O-SULFONATOBASTADIN_11 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H23Br4N4O11S |
| InChI | InChI=1S/C34H26Br4N4O11S/c35-21-9-17-1-3-27(21)51-29-15-18(2-4-28(29)53-54(48,49)50)6-8-40-33(44)25(41-46)13-19-11-23(37)32(24(38)12-19)52-30-16-20(10-22(36)31(30)43)14-26(42-47)34(45)39-7-5-17/h1-5,7,9-12,15-16,43,46-47H,6,8,13-14H2,(H,39,45)(H,40,44)(H,48,49,50)/p-1/b7-5+,41-25+,42-26+ |
| InChIKey | ZTKIGVVADIRILR-HIHPLZGUSA-M |
| Literature Reference Author | A.R.CARROLL,S.M.KAISER,R.A.DAVIS,R.W.MONI,J.N.A.HOOPER,R.J.Q UINN |
| Literature Reference Citation | J.NAT.PROD.,73,1173(2010) |
| Literature Reference DOI | 10.1021/np100010z |
| Molecular Weight | 1015.253 g/mol |
| Sample ID | 36393 |
| Solvent | DMSO-D6 |