| SpectraBase Compound ID | HAqKtWhzLwv |
|---|---|
| InChI | InChI=1S/C28H36N2O4/c31-25(29-19-7-8-20-29)15-17-27(33,23-11-3-1-4-12-23)28(34,24-13-5-2-6-14-24)18-16-26(32)30-21-9-10-22-30/h1-6,11-14,33-34H,7-10,15-22H2/t27-,28+ |
| InChIKey | BVHGKKRHODOLSO-HNRBIFIRSA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C28H36N2O4 |
| Exact Mass | 464.267508 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3TreOL3QgVy |
|---|---|
| Name | (4S,5R)-1,8-Di(pyrrolidin-1-yl)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H36N2O4 |
| InChI | InChI=1S/C28H36N2O4/c31-25(29-19-7-8-20-29)15-17-27(33,23-11-3-1-4-12-23)28(34,24-13-5-2-6-14-24)18-16-26(32)30-21-9-10-22-30/h1-6,11-14,33-34H,7-10,15-22H2/t27-,28+ |
| InChIKey | BVHGKKRHODOLSO-HNRBIFIRSA-N |
| Molecular Weight | 464.606 g/mol |
| SMILES | O[C@@]([C@@](CCC(N1CCCC1)=O)(c1ccccc1)O)(CCC(N1CCCC1)=O)c1ccccc1 |
| SPLASH | splash10-08fr-5910000000-b23ad82645561f89edc4 |
| Source of Spectrum | KC-0-2033-2 |
| Synonyms | (4R,5S)-1,8-dioxo-4,5-diphenyl-1,8-di(1-pyrrolidinyl)-4,5-octanediol (4RS,5SR)-1,8-Di(pyrrolidin-1-yl)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione (4S,5R)-4,5-dihydroxy-4,5-diphenyl-1,8-bis(1-pyrrolidinyl)octane-1,8-dione (4S,5R)-4,5-dihydroxy-4,5-diphenyl-1,8-dipyrrolidin-1-yloctane-1,8-dione (4S,5R)-4,5-dihydroxy-4,5-diphenyl-1,8-dipyrrolidin-1-yl-octane-1,8-dione (4S,5R)-4,5-bis(oxidanyl)-4,5-diphenyl-1,8-dipyrrolidin-1-yl-octane-1,8-dione |
| Wiley ID | 828422 |