| SpectraBase Spectrum ID |
Gv92HkqMYe6 |
| Name |
(2S,3S,4R,5S)-Methyl 4-nitro-1-[(S)-2-nitro-1-phenylethyl]-3,5-diphenylpyrrolidine-2-carboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H25N3O6 |
| InChI |
InChI=1S/C26H25N3O6/c1-35-26(30)25-22(19-13-7-3-8-14-19)24(29(33)34)23(20-15-9-4-10-16-20)28(25)21(17-27(31)32)18-11-5-2-6-12-18/h2-16,21-25H,17H2,1H3/t21-,22-,23+,24-,25+/m1/s1 |
| InChIKey |
QMBZDSQFIDUXQI-RXFVIIJJSA-N |
| Instrument Name |
Shimadzu QP-5000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cctc.201902382 |
| Molecular Weight |
475.501 g/mol |
| Optical Rotation |
[a]D26 = 51.2 (c = 1, CHCl3) |
| Reported Formula |
C26H25N3O6 |
| SMILES |
[C@]1(N([C@]([C@@]([C@]1(c1ccccc1)[H])([N+](=O)[O-])[H])(c1ccccc1)[H])[C@](C[N+]([O-])=O)(c1ccccc1)[H])(C(OC)=O)[H] |
| SPLASH |
splash10-014i-1942200000-e592c631a5a60a6303a8 |
| Sample Comments |
95% de, 98% ee |
| Source of Spectrum |
CCC-12-2019-10a |
| Wiley ID |
1839866 |
![(2S,3S,4R,5S)-Methyl 4-nitro-1-[(S)-2-nitro-1-phenylethyl]-3,5-diphenylpyrrolidine-2-carboxylate](/api/spectrum/Gv92HkqMYe6/structure.png?h=300&w=458 "(2S,3S,4R,5S)-Methyl 4-nitro-1-[(S)-2-nitro-1-phenylethyl]-3,5-diphenylpyrrolidine-2-carboxylate")
