| SpectraBase Compound ID | HGxJZntGwni |
|---|---|
| InChI | InChI=1S/C42H70N4O4S2/c1-7-9-27-33-45(5)41(49)31-25-21-17-13-11-15-19-23-29-39(43-37(3)47)35-51-52-36-40(44-38(4)48)30-24-20-16-12-14-18-22-26-32-42(50)46(6)34-28-10-8-2/h7-8,23-24,27-30,33-34,39-40H,1-2,9-22,25-26,31-32,35-36H2,3-6H3,(H,43,47)(H,44,48)/b29-23+,30-24+,33-27+,34-28+/t39-,40+ |
| InChIKey | UJORQZOJHPJQER-DQRKBAOJSA-N |
| Mol Weight | 759.2 g/mol |
| Molecular Formula | C42H70N4O4S2 |
| Exact Mass | 758.483849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9uysZ4gp1E2 |
|---|---|
| Name | SOMOCYSTINAMIDE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70N4O4S2 |
| InChI | InChI=1S/C42H70N4O4S2/c1-7-9-27-33-45(5)41(49)31-25-21-17-13-11-15-19-23-29-39(43-37(3)47)35-51-52-36-40(44-38(4)48)30-24-20-16-12-14-18-22-26-32-42(50)46(6)34-28-10-8-2/h7-8,23-24,27-30,33-34,39-40H,1-2,9-22,25-26,31-32,35-36H2,3-6H3,(H,43,47)(H,44,48)/b29-23+,30-24+,33-27+,34-28+/t39-,40+ |
| InChIKey | UJORQZOJHPJQER-DQRKBAOJSA-N |
| Literature Reference Author | L.M.NOGLE,W.H.GERWICK |
| Literature Reference Citation | ORG.LETTERS,4,1095(2002) |
| Literature Reference DOI | 10.1021/ol017275j |
| Molecular Weight | 759.162 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ25678 |