| SpectraBase Compound ID | JiJfLDwWAyD |
|---|---|
| InChI | InChI=1S/C26H32N2O4/c29-23(27-17-7-18-27)13-15-25(31,21-9-3-1-4-10-21)26(32,22-11-5-2-6-12-22)16-14-24(30)28-19-8-20-28/h1-6,9-12,31-32H,7-8,13-20H2/t25-,26+ |
| InChIKey | MOFVGPQSJYZUEE-WMPKNSHKSA-N |
| Mol Weight | 436.6 g/mol |
| Molecular Formula | C26H32N2O4 |
| Exact Mass | 436.236208 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4TCfKtSrzM |
|---|---|
| Name | (4S,5R)-1,8-Di(azetidin-1-yl)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H32N2O4 |
| InChI | InChI=1S/C26H32N2O4/c29-23(27-17-7-18-27)13-15-25(31,21-9-3-1-4-10-21)26(32,22-11-5-2-6-12-22)16-14-24(30)28-19-8-20-28/h1-6,9-12,31-32H,7-8,13-20H2/t25-,26+ |
| InChIKey | MOFVGPQSJYZUEE-WMPKNSHKSA-N |
| Molecular Weight | 436.552 g/mol |
| SMILES | O[C@@]([C@@](CCC(N1CCC1)=O)(c1ccccc1)O)(CCC(N1CCC1)=O)c1ccccc1 |
| SPLASH | splash10-0bt9-7900000000-bc91f69581698f65dd07 |
| Source of Spectrum | KC-0-2033-2 |
| Synonyms | (4R,5S)-1,8-di(1-azetidinyl)-1,8-dioxo-4,5-diphenyl-4,5-octanediol (4RS,5SR)-1,8-Di(azetidin-1-yl)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione (4S,5R)-1,8-bis(1-azetidinyl)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione (4S,5R)-1,8-bis(azetidin-1-yl)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione (4S,5R)-1,8-bis(azetidin-1-yl)-4,5-bis(oxidanyl)-4,5-diphenyl-octane-1,8-dione |
| Wiley ID | 828424 |