| SpectraBase Compound ID | AUTdBuYAQdX |
|---|---|
| InChI | InChI=1S/C25H22N6O4S2/c1-30-8-28-23(11(30)4-10(26)24(34)35)37-22-19-12(32)5-13-25(22)6-14(36-13)29-18-16(25)20-15-9(2-3-31(19)20)7-27-17(15)21(18)33/h5,7-8,10,14,19,22H,2-4,6,26H2,1H3,(H2,27,29,33,34,35)/p+1/t10-,14+,19-,22?,25-/m1/s1 |
| InChIKey | ARYKGGHKIXVLJL-UNWSTXOPSA-O |
| Mol Weight | 535.62 g/mol |
| Molecular Formula | C25H23N6O4S2 |
| Exact Mass | 535.122221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CpBtQt1HQro |
|---|---|
| Name | DISCORHABDIN_H |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H23N6O4S2 |
| InChI | InChI=1S/C25H22N6O4S2/c1-30-8-28-23(11(30)4-10(26)24(34)35)37-22-19-12(32)5-13-25(22)6-14(36-13)29-18-16(25)20-15-9(2-3-31(19)20)7-27-17(15)21(18)33/h5,7-8,10,14,19,22H,2-4,6,26H2,1H3,(H2,27,29,33,34,35)/p+1/t10-,14+,19-,22?,25-/m1/s1 |
| InChIKey | ARYKGGHKIXVLJL-UNWSTXOPSA-O |
| Literature Reference Author | E.M.ANTUNES,D.R.BEUKES,M.KELLY,T.SAMAAI,L.R.BARROWS,K.M.MARS HALL,C.SINCICH,M.T.D |
| Literature Reference Citation | J.NAT.PROD.,67,1268(2004) |
| Literature Reference DOI | 10.1021/np034084b |
| Molecular Weight | 535.615 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ7315 |