| SpectraBase Compound ID | JgA1gqhvE7t |
|---|---|
| InChI | InChI=1S/C32H44N2O4/c35-29(33-23-11-1-2-12-24-33)19-21-31(37,27-15-7-5-8-16-27)32(38,28-17-9-6-10-18-28)22-20-30(36)34-25-13-3-4-14-26-34/h5-10,15-18,37-38H,1-4,11-14,19-26H2/t31-,32+ |
| InChIKey | QGKCPZCTLANDBN-MEKGRNQZSA-N |
| Mol Weight | 520.7 g/mol |
| Molecular Formula | C32H44N2O4 |
| Exact Mass | 520.330108 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | su6giN9ZcJ |
|---|---|
| Name | (4S,5R)-(+-)-1,8-Di(azepanin-1-yl)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H44N2O4 |
| InChI | InChI=1S/C32H44N2O4/c35-29(33-23-11-1-2-12-24-33)19-21-31(37,27-15-7-5-8-16-27)32(38,28-17-9-6-10-18-28)22-20-30(36)34-25-13-3-4-14-26-34/h5-10,15-18,37-38H,1-4,11-14,19-26H2/t31-,32+ |
| InChIKey | QGKCPZCTLANDBN-MEKGRNQZSA-N |
| Molecular Weight | 520.714 g/mol |
| SMILES | O[C@@]([C@@](CCC(N1CCCCCC1)=O)(c1ccccc1)O)(CCC(N1CCCCCC1)=O)c1ccccc1 |
| SPLASH | splash10-0ik9-2910000000-2ae0bee41eba13fd7dd9 |
| Source of Spectrum | KC-0-2034-3 |
| Synonyms | (+-)-1,8-Di(azepanin-1-yl)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione (4R,5S)-1,8-bis(1-azepanyl)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione (4R,5S)-1,8-bis(azepan-1-yl)-4,5-bis(oxidanyl)-4,5-diphenyl-octane-1,8-dione (4R,5S)-1,8-bis(azepan-1-yl)-4,5-dihydroxy-4,5-diphenyl-octane-1,8-dione (4R,5S)-1,8-dihexahydro-1H-azepin-1-yl-1,8-dioxo-4,5-diphenyl-4,5-octanediol (4RS,5SR)-1,8-Di(azepanin-1-yl)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione (4S,5R)-1,8-bis(1-azepanyl)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione (4S,5R)-1,8-bis(azepan-1-yl)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione (4S,5R)-1,8-bis(azepan-1-yl)-4,5-bis(oxidanyl)-4,5-diphenyl-octane-1,8-dione |
| Wiley ID | 828417 |