| SpectraBase Compound ID | IiSb5HLefAd |
|---|---|
| InChI | InChI=1S/C38H36N8O8S2/c47-29-17-39-33(49)25(15-21-7-3-1-4-8-21)43-35(51)27-19-55-31-13-11-23(37(53)45(27)31)42-30(48)18-40-34(50)26(16-22-9-5-2-6-10-22)44-36(52)28-20-56-32-14-12-24(41-29)38(54)46(28)32/h1-14,25-28H,15-20H2,(H,39,49)(H,40,50)(H,41,47)(H,42,48)(H,43,51)(H,44,52)/t25-,26-,27-,28-/m0/s1 |
| InChIKey | XNDALOPQUQTOHR-LJWNLINESA-N |
| Mol Weight | 796.9 g/mol |
| Molecular Formula | C38H36N8O8S2 |
| Exact Mass | 796.209752 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LsoF80abled |
|---|---|
| Name | XNDALOPQUQTOHR-LJWNLINESA-N |
| Compound Number | 25 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H36N8O8S2 |
| InChI | InChI=1S/C38H36N8O8S2/c47-29-17-39-33(49)25(15-21-7-3-1-4-8-21)43-35(51)27-19-55-31-13-11-23(37(53)45(27)31)42-30(48)18-40-34(50)26(16-22-9-5-2-6-10-22)44-36(52)28-20-56-32-14-12-24(41-29)38(54)46(28)32/h1-14,25-28H,15-20H2,(H,39,49)(H,40,50)(H,41,47)(H,42,48)(H,43,51)(H,44,52)/t25-,26-,27-,28-/m0/s1 |
| InChIKey | XNDALOPQUQTOHR-LJWNLINESA-N |
| Literature Reference Author | P.TREMMEL,A.GEYER |
| Literature Reference Citation | EUR.J.ORG.CHEM.,3475(2005) |
| Molecular Weight | 796.873 g/mol |
| Sample ID | 30136 |
| Solvent | DMSO-D6 |