![(+)-1-ETHYL-2-(1R,2S,3R)-3-[N-PHENYLSULFONYL-N-(3,5-DIMETHYLPHENYL)-AMINO]-2-BORNANYL-2-(TRIFLUOROMETHYL)-AZIRIDINE-1,2-DICARBOXYLATE;MAJOR-ISOMER](/api/spectrum/EuMtFuvwSfW/structure.png?h=300&w=458 "(+)-1-ETHYL-2-(1R,2S,3R)-3-[N-PHENYLSULFONYL-N-(3,5-DIMETHYLPHENYL)-AMINO]-2-BORNANYL-2-(TRIFLUOROMETHYL)-AZIRIDINE-1,2-DICARBOXYLATE;MAJOR-ISOMER")
| SpectraBase Compound ID | A2lb7efAgEL |
|---|---|
| InChI | InChI=1S/C31H37F3N2O6S/c1-7-41-27(38)35-18-30(35,31(32,33)34)26(37)42-25-24(23-13-14-29(25,6)28(23,4)5)36(21-16-19(2)15-20(3)17-21)43(39,40)22-11-9-8-10-12-22/h8-12,15-17,23-25H,7,13-14,18H2,1-6H3/t23-,24+,25+,29+,30?,35?/m1/s1 |
| InChIKey | HDRGGLHJUCFPIA-MECFCRMNSA-N |
| Mol Weight | 622.7 g/mol |
| Molecular Formula | C31H37F3N2O6S |
| Exact Mass | 622.232443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EuMtFuvwSfW |
|---|---|
| Name | (+)-1-ETHYL-2-(1R,2S,3R)-3-[N-PHENYLSULFONYL-N-(3,5-DIMETHYLPHENYL)-AMINO]-2-BORNANYL-2-(TRIFLUOROMETHYL)-AZIRIDINE-1,2-DICARBOXYLATE;MAJOR-ISOMER |
| Compound Number | 3D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H37F3N2O6S |
| InChI | InChI=1S/C31H37F3N2O6S/c1-7-41-27(38)35-18-30(35,31(32,33)34)26(37)42-25-24(23-13-14-29(25,6)28(23,4)5)36(21-16-19(2)15-20(3)17-21)43(39,40)22-11-9-8-10-12-22/h8-12,15-17,23-25H,7,13-14,18H2,1-6H3/t23-,24+,25+,29+,30?,35?/m1/s1 |
| InChIKey | HDRGGLHJUCFPIA-MECFCRMNSA-N |
| Literature Reference Author | D.COLANTONI,S.FIORAVANTI,L.PELLACANI,P.A.TARDELLA |
| Literature Reference Citation | ORG.LETTERS,6,197(2004) |
| Literature Reference DOI | 10.1021/ol0361554 |
| Molecular Weight | 622.700 g/mol |
| Sample ID | 34680 |
| Solvent | CDCl3 |