| SpectraBase Compound ID | k6wuifrH0U |
|---|---|
| InChI | InChI=1S/C34H26Br4N4O14S2.2Na/c35-21-9-17-1-3-27(21)53-29-15-19(11-23(37)31(29)55-57(47,48)49)6-8-40-33(43)25(41-45)13-18-2-4-28(22(36)10-18)54-30-16-20(12-24(38)32(30)56-58(50,51)52)14-26(42-46)34(44)39-7-5-17;;/h1-5,7,9-12,15-16,45-46H,6,8,13-14H2,(H,39,44)(H,40,43)(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2/b7-5+,41-25+,42-26-;; |
| InChIKey | ZLRBWWMXFRWULT-MLSNJJSASA-L |
| Mol Weight | 1142.29553856 g/mol |
| Molecular Formula | C34H24Br4N4Na2O14S2 |
| Exact Mass | 1137.725934 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6M8NbFOb5el |
|---|---|
| Name | 15,34-O-DISULFATOBASTADIN-7 |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H22Br4N4Na2O14S2 |
| InChI | InChI=1S/C34H26Br4N4O14S2.2Na/c35-21-9-17-1-3-27(21)53-29-15-19(11-23(37)31(29)55-57(47,48)49)6-8-40-33(43)25(41-45)13-18-2-4-28(22(36)10-18)54-30-16-20(12-24(38)32(30)56-58(50,51)52)14-26(42-46)34(44)39-7-5-17;;/h1-5,7,9-12,15-16,45-46H,6,8,13-14H2,(H,39,44)(H,40,43)(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2/b7-5+,41-25+,42-26-;; |
| InChIKey | ZLRBWWMXFRWULT-MLSNJJSASA-L |
| Literature Reference Author | M.A.FRANKLIN,S.G.PENN,C.B.LEBRILLA,T.H.LAM,I.N.PESSAH,T.F.MO LINSKI |
| Literature Reference Citation | J.NAT.PROD.,59,1121(1996) |
| Literature Reference DOI | 10.1021/np960507g |
| Molecular Weight | 1140.283 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWKP72 |