| SpectraBase Compound ID | 8FgiV1YY5j2 |
|---|---|
| InChI | InChI=1S/C42H67N11O14S.Na/c1-21(2)17-29-37(59)47-27(9-7-8-15-46-42(43)44)35(57)52-33(23(5)6)41(63)53-19-26(67-68(64,65)66)18-31(53)39(61)48-28(14-16-45-34(56)24-10-12-25(55)13-11-24)36(58)51-32(22(3)4)40(62)50-30(20-54)38(60)49-29;/h10-13,21-23,26-33,54-55H,7-9,14-20H2,1-6H3,(H,45,56)(H,47,59)(H,48,61)(H,49,60)(H,50,62)(H,51,58)(H,52,57)(H4,43,44,46)(H,64,65,66);/q;+1/p-1/t26-,27-,28+,29-,30-,31+,32+,33+;/m1./s1 |
| InChIKey | XZYKYZMIRUAOBI-UVDUCOMRSA-M |
| Mol Weight | 1004.1 g/mol |
| Molecular Formula | C42H66N11NaO14S |
| Exact Mass | 1003.440911 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wpXyMZwrIk |
|---|---|
| Name | CUPOLAMIDE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66N11NaO14S |
| InChI | InChI=1S/C42H67N11O14S.Na/c1-21(2)17-29-37(59)47-27(9-7-8-15-46-42(43)44)35(57)52-33(23(5)6)41(63)53-19-26(67-68(64,65)66)18-31(53)39(61)48-28(14-16-45-34(56)24-10-12-25(55)13-11-24)36(58)51-32(22(3)4)40(62)50-30(20-54)38(60)49-29;/h10-13,21-23,26-33,54-55H,7-9,14-20H2,1-6H3,(H,45,56)(H,47,59)(H,48,61)(H,49,60)(H,50,62)(H,51,58)(H,52,57)(H4,43,44,46)(H,64,65,66);/q;+1/p-1/t26-,27-,28+,29-,30-,31+,32+,33+;/m1./s1 |
| InChIKey | XZYKYZMIRUAOBI-UVDUCOMRSA-M |
| Literature Reference Author | L.S.BONNINGTON,J.TANAKA,T.HIGA,J.KIMURA,Y.YOSHIMURA,Y.NAKAO, W.Y.YOSHIDA,P.J.SCH |
| Literature Reference Citation | J.ORG.CHEM.,62,7765(1997) |
| Literature Reference DOI | 10.1021/jo9710285 |
| Molecular Weight | 1004.101 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ4329 |