| SpectraBase Spectrum ID |
E7R1Guo5EBq |
| Name |
(2S,3S,4R,5S)-Methyl 4-nitro-1-[(S)-2-nitro-1-phenylethyl]-3-phenyl-5-(p-tolyl)pyrrolidine-2-carboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H27N3O6 |
| InChI |
InChI=1S/C27H27N3O6/c1-18-13-15-21(16-14-18)24-25(30(34)35)23(20-11-7-4-8-12-20)26(27(31)36-2)29(24)22(17-28(32)33)19-9-5-3-6-10-19/h3-16,22-26H,17H2,1-2H3/t22-,23-,24+,25-,26+/m1/s1 |
| InChIKey |
BFCCAIOZIJYXQE-RTJMFUJLSA-N |
| Instrument Name |
Shimadzu QP-5000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cctc.201902382 |
| Molecular Weight |
489.528 g/mol |
| Optical Rotation |
[a]D26 = 50.8 (c = 1, CHCl3) |
| SMILES |
[C@]1(N([C@]([C@@]([C@]1(c1ccccc1)[H])([N+](=O)[O-])[H])(c1ccc(cc1)C)[H])[C@](C[N+]([O-])=O)(c1ccccc1)[H])(C(OC)=O)[H] |
| SPLASH |
splash10-001i-0896400000-e616f8baacaa59c8be74 |
| Sample Comments |
95% de, 95% ee |
| Source of Spectrum |
CCC-12-2019-10e |
| Wiley ID |
1839869 |
![(2S,3S,4R,5S)-Methyl 4-nitro-1-[(S)-2-nitro-1-phenylethyl]-3-phenyl-5-(p-tolyl)pyrrolidine-2-carboxylate](/api/spectrum/E7R1Guo5EBq/structure.png?h=300&w=458 "(2S,3S,4R,5S)-Methyl 4-nitro-1-[(S)-2-nitro-1-phenylethyl]-3-phenyl-5-(p-tolyl)pyrrolidine-2-carboxylate")
