| SpectraBase Spectrum ID |
91PbNWpknd7 |
| Name |
(2S,3S,4S,5R,6R)-3-tert-Butoxycarbonyl-2-methoxy-2-methyl-5-nitro-4-phenyl-6-(phenylethynyl)tetrahydro-2H-pyran |
| Comments |
Edited after expert review for CHCl3 contamination - Original record with SpectrumID 1749539 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H29NO6 |
| InChI |
InChI=1S/C26H29NO6/c1-25(2,3)33-24(28)22-21(19-14-10-7-11-15-19)23(27(29)30)20(32-26(22,4)31-5)17-16-18-12-8-6-9-13-18/h6-15,20-23H,1-5H3/t20-,21-,22+,23+,26+/m1/s1 |
| InChIKey |
MJXIRFAQWOUIRC-IOCWQACJSA-N |
| Molecular Weight |
451.519 g/mol |
| SMILES |
C(C)(C)(OC([C@]1([C@](O[C@](C#Cc2ccccc2)([C@@]([C@@]1(c1ccccc1)[H])([N+](=O)[O-])[H])[H])(OC)C)[H])=O)C |
| SPLASH |
splash10-05fr-2392700000-a787ecf0698b55c8cbc0 |
| Source of Spectrum |
A1-16-3636/SM12-6m |
| Synonyms |
(2S,3R,4S,5R,6R)-tert-butyl 2-methoxy-2-methyl-5-nitro-4-phenyl-6-(phenylethynyl)tetrahydro-2H-pyran-3-carboxylate |
| Wiley ID |
1821398 |
