![(5S,9S,11R,13R,15S,19S,Z)-2-phenyl-7,8,11,12,13,14,16,17-octahydro-1H,5H,10H,19H-9,13:9,15:11,15-trimethano-5,18:6,19-di(metheno)[1,2,4]triazolo[1,2-a][1,2]diazacycloheptadecine-1,3(2H)-dione](/api/spectrum/FnnqT8w9H7p/structure.png?h=300&w=458 "(5S,9S,11R,13R,15S,19S,Z)-2-phenyl-7,8,11,12,13,14,16,17-octahydro-1H,5H,10H,19H-9,13:9,15:11,15-trimethano-5,18:6,19-di(metheno)[1,2,4]triazolo[1,2-a][1,2]diazacycloheptadecine-1,3(2H)-dione")
| SpectraBase Compound ID | 44zjCzR1ccx |
|---|---|
| InChI | InChI=1S/C28H31N3O2/c32-25-29(22-4-2-1-3-5-22)26(33)31-24-11-20-6-8-27-13-18-10-19(14-27)16-28(15-18,17-27)9-7-21(24)12-23(20)30(25)31/h1-5,11-12,18-19,23-24H,6-10,13-17H2/t18-,19+,23-,24-,27-,28+/m1/s1 |
| InChIKey | FBRNJFOMRSMMSI-BZXUQKRASA-N |
| Mol Weight | 441.58 g/mol |
| Molecular Formula | C28H31N3O2 |
| Exact Mass | 441.241627 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FnnqT8w9H7p |
|---|---|
| Name | (5S,9S,11R,13R,15S,19S,Z)-2-phenyl-7,8,11,12,13,14,16,17-octahydro-1H,5H,10H,19H-9,13:9,15:11,15-trimethano-5,18:6,19-di(metheno)[1,2,4]triazolo[1,2-a][1,2]diazacycloheptadecine-1,3(2H)-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H31N3O2 |
| InChI | InChI=1S/C28H31N3O2/c32-25-29(22-4-2-1-3-5-22)26(33)31-24-11-20-6-8-27-13-18-10-19(14-27)16-28(15-18,17-27)9-7-21(24)12-23(20)30(25)31/h1-5,11-12,18-19,23-24H,6-10,13-17H2/t18-,19+,23-,24-,27-,28+/m1/s1 |
| InChIKey | FBRNJFOMRSMMSI-BZXUQKRASA-N |
| Literature Reference DOI | 10.1002/cber.19941270628 |
| Molecular Weight | 441.575 g/mol |
| SMILES | [C@]123C[C@@]4(C[C@](C3)(C[C@](C1)(C4)[H])CCC=1[C@]3(C=C([C@](N4N3C(N(C4=O)c3ccccc3)=O)(C1)[H])CC2)[H])[H] |
| SPLASH | splash10-0udi-0910000000-1a1578c22dd02aa7b86e |
| Source of Spectrum | K-127-1154-9 |
| Wiley ID | 1792356 |