| SpectraBase Compound ID | Lo5PtOO2wQa |
|---|---|
| InChI | InChI=1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22?,27?,28-,29?,30-,31?/m0/s1 |
| InChIKey | ZRZWBWPDBOVIGQ-ZCRPTDDBSA-N |
| Mol Weight | 710.9 g/mol |
| Molecular Formula | C31H30N6O6S4 |
| Exact Mass | 710.110967 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XsYDLDy560 |
|---|---|
| Name | CHETOMIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H30N6O6S4 |
| InChI | InChI=1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22?,27?,28-,29?,30-,31?/m0/s1 |
| InChIKey | ZRZWBWPDBOVIGQ-ZCRPTDDBSA-N |
| Literature Reference Author | D.BREWER,A.G.MCINNES,D.G.SMITH,A.TAYLOR,J.A.WALTER,H.R.LOOSL I,Z.L.KIS |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1248(1978) |
| Literature Reference DOI | 10.1039/p19780001248 |
| Molecular Weight | 710.856 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS12097 |