| SpectraBase Compound ID | CPLUeyQaaac |
|---|---|
| InChI | InChI=1S/C37H46N8O6S2/c1-8-18(4)27-35-45-29(21(7)51-35)33(49)39-23(14-22-12-10-9-11-13-22)37-41-25(16-53-37)30(46)42-26(17(2)3)34-44-28(20(6)50-34)32(48)38-19(5)36-40-24(15-52-36)31(47)43-27/h9-13,15-21,23,26-29H,8,14H2,1-7H3,(H,38,48)(H,39,49)(H,42,46)(H,43,47)/t18?,19-,20?,21-,23-,26+,27?,28+,29+/m1/s1 |
| InChIKey | CFXBLGFMQUFLKS-PTAJLYNKSA-N |
| Mol Weight | 762.9 g/mol |
| Molecular Formula | C37H46N8O6S2 |
| Exact Mass | 762.298174 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JD52GaLBPBj |
|---|---|
| Name | PATELLAMIDE_C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H46N8O6S2 |
| InChI | InChI=1S/C37H46N8O6S2/c1-8-18(4)27-35-45-29(21(7)51-35)33(49)39-23(14-22-12-10-9-11-13-22)37-41-25(16-53-37)30(46)42-26(17(2)3)34-44-28(20(6)50-34)32(48)38-19(5)36-40-24(15-52-36)31(47)43-27/h9-13,15-21,23,26-29H,8,14H2,1-7H3,(H,38,48)(H,39,49)(H,42,46)(H,43,47)/t18?,19-,20?,21-,23-,26+,27?,28+,29+/m1/s1 |
| InChIKey | CFXBLGFMQUFLKS-PTAJLYNKSA-N |
| Literature Reference Author | T.ISHIDA,Y.IN,F.SHINOZAKI,M.DOI,D.YAMAMOTO,Y.HAMADA,T.SHIOIR I,M.KAMIGAUCHI,M.SUG |
| Literature Reference Citation | J.ORG.CHEM.,60,3944(1995) |
| Literature Reference DOI | 10.1021/jo00118a007 |
| Molecular Weight | 762.942 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ2271 |