| SpectraBase Compound ID | JSCihzoQO3t |
|---|---|
| InChI | InChI=1S/2C25H28Br4N4O9/c2*1-39-18-12(26)6-24(20(35)16(18)28)8-14(32-41-24)22(37)30-5-3-4-11(34)10-31-23(38)15-9-25(42-33-15)7-13(27)19(40-2)17(29)21(25)36/h2*6-7,11,20-21,34-36H,3-5,8-10H2,1-2H3,(H,30,37)(H,31,38)/t11-,20+,21+,24-,25-;11-,20-,21-,24+,25+/m10/s1 |
| InChIKey | VSCMXKWQXWPVCN-USMQZTSJSA-N |
| Mol Weight | 1696.27 g/mol |
| Molecular Formula | C50H56Br8N8O18 |
| Exact Mass | 1687.717961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 34PFwlPi4UE |
|---|---|
| Name | CAISSARINE-C |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H56Br8N8O18 |
| InChI | InChI=1S/2C25H28Br4N4O9/c2*1-39-18-12(26)6-24(20(35)16(18)28)8-14(32-41-24)22(37)30-5-3-4-11(34)10-31-23(38)15-9-25(42-33-15)7-13(27)19(40-2)17(29)21(25)36/h2*6-7,11,20-21,34-36H,3-5,8-10H2,1-2H3,(H,30,37)(H,31,38)/t11-,20+,21+,24-,25-;11-,20-,21-,24+,25+/m10/s1 |
| InChIKey | VSCMXKWQXWPVCN-USMQZTSJSA-N |
| Literature Reference Author | T.O.D.LIRA,R.G.S.BERLINCK,G.G.F.NASCIMENTO,E.HAJDU |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,17,1233(2006) |
| Molecular Weight | 1696.269 g/mol |
| Source File Reference | UWIR5031 |