| SpectraBase Compound ID | 6zyatUSvhgt |
|---|---|
| InChI | InChI=1S/C39H41N7O6S/c1-51-32-20-30-31(21-33(32)52-2)45-26-46-38(30)41-19-18-40-34(47)22-42-35(48)23-43-36(49)24-44-37(50)25-53-39(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-17,20-21,26H,18-19,22-25H2,1-2H3,(H,40,47)(H,42,48)(H,43,49)(H,44,50)(H,41,45,46) |
| InChIKey | JCSAOPHZPPRQKN-UHFFFAOYSA-N |
| Mol Weight | 735.9 g/mol |
| Molecular Formula | C39H41N7O6S |
| Exact Mass | 735.283903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JRGh8cpogfP |
|---|---|
| Name | TR-MAG(3)-ADMQ |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H41N7O6S |
| InChI | InChI=1S/C39H41N7O6S/c1-51-32-20-30-31(21-33(32)52-2)45-26-46-38(30)41-19-18-40-34(47)22-42-35(48)23-43-36(49)24-44-37(50)25-53-39(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-17,20-21,26H,18-19,22-25H2,1-2H3,(H,40,47)(H,42,48)(H,43,49)(H,44,50)(H,41,45,46) |
| InChIKey | JCSAOPHZPPRQKN-UHFFFAOYSA-N |
| Literature Reference Author | M.ZHAO,H.NING,M.FENG,S.LI,J.CHANG,C.QI |
| Literature Reference Citation | MOLECULES,19,5508(2014) |
| Literature Reference DOI | 10.3390/molecules19055508 |
| Molecular Weight | 735.858 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR14418 |