| SpectraBase Spectrum ID |
E5D9SroF9qa |
| Name |
2-Pyrrolidinone, 3-hydroxy-1-methyl-5-[[[(4-methylphenyl)sulfonyl]oxy]phenylmethyl]-4-phenyl-, [3R-[3.alpha.,4.beta.,5.alpha.(S*)]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.145344078 u |
| Formula |
C25H25NO5S |
| InChI |
InChI=1S/C25H25NO5S/c1-17-13-15-20(16-14-17)32(29,30)31-24(19-11-7-4-8-12-19)22-21(18-9-5-3-6-10-18)23(27)25(28)26(22)2/h3-16,21-24,27H,1-2H3/t21-,22-,23+,24-/m0/s1 |
| InChIKey |
XWJCBYFQZLXEFG-XQUALCHDSA-N |
| Molecular Weight |
451.537 g/mol |
| SMILES |
[C@]1(N(C([C@@]([C@]1(C=1C=CC=CC1)[H])(O)[H])=O)C)([C@@](OS(C1=CC=C(C=C1)C)(=O)=O)(C=1C=CC=CC1)[H])[H] |
![2-Pyrrolidinone, 3-hydroxy-1-methyl-5-[[[(4-methylphenyl)sulfonyl]oxy]phenylmethyl]-4-phenyl-, [3R-[3.alpha.,4.beta.,5.alpha.(S*)]]-](/api/spectrum/E5D9SroF9qa/structure.png?h=300&w=458 "2-Pyrrolidinone, 3-hydroxy-1-methyl-5-[[[(4-methylphenyl)sulfonyl]oxy]phenylmethyl]-4-phenyl-, [3R-[3.alpha.,4.beta.,5.alpha.(S*)]]-")
