| SpectraBase Compound ID | IqSrCmGWrkq |
|---|---|
| InChI | InChI=1S/C28H46N2O/c1-8-18(2)26(31)29-21-13-15-27(4)20(17-21)9-10-22-24-12-11-23(19(3)30(6)7)28(24,5)16-14-25(22)27/h8,17,19,21-25H,9-16H2,1-7H3,(H,29,31)/b18-8+/t19-,21-,22-,23+,24-,25-,27-,28+/m0/s1 |
| InChIKey | PKBOVSZNYCEPIO-FMOGVYJDSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C28H46N2O |
| Exact Mass | 426.361014 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LFuH37hrmeJ |
|---|---|
| Name | Salignarine E |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46N2O |
| InChI | InChI=1S/C28H46N2O/c1-8-18(2)26(31)29-21-13-15-27(4)20(17-21)9-10-22-24-12-11-23(19(3)30(6)7)28(24,5)16-14-25(22)27/h8,17,19,21-25H,9-16H2,1-7H3,(H,29,31)/b18-8+/t19-,21-,22-,23+,24-,25-,27-,28+/m0/s1 |
| InChIKey | PKBOVSZNYCEPIO-FMOGVYJDSA-N |
| Molecular Weight | 426.689 g/mol |
| SMILES | N(C(\C(=C\C)C)=O)[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CCC2=C1)[H])(CC[C@@]4([C@@](N(C)C)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-0ir0-9500800000-735379d15e1b271e2eb8 |
| Source of Spectrum | G4-63-1368-5 |
| Synonyms | (2E)-N-[(3beta,20S)-20-(dimethylamino)pregn-4-en-3-yl]-2-methyl-2-butenamide (E)-N-[(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-methyl-2-butenamide (E)-N-[(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamide |
| Wiley ID | 1608636 |