![8-O-[p-(Trifluoromethyl)benzyl]-Dioncophylline A](/api/spectrum/1xEU33ekVZr/structure.png?h=300&w=458 "8-O-[p-(Trifluoromethyl)benzyl]-Dioncophylline A")
| SpectraBase Compound ID | CPYPq4jszBK |
|---|---|
| InChI | InChI=1S/C32H32F3NO3/c1-18-15-27(38-5)30-24(7-6-8-26(30)37-4)28(18)25-14-11-22-16-19(2)36-20(3)29(22)31(25)39-17-21-9-12-23(13-10-21)32(33,34)35/h6-15,19-20,36H,16-17H2,1-5H3/t19-,20-/m1/s1 |
| InChIKey | AJTNJTGKCZMLNG-WOJBJXKFSA-N |
| Mol Weight | 535.6 g/mol |
| Molecular Formula | C32H32F3NO3 |
| Exact Mass | 535.233428 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1xEU33ekVZr |
|---|---|
| Name | 8-O-[p-(Trifluoromethyl)benzyl]-Dioncophylline A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H32F3NO3 |
| InChI | InChI=1S/C32H32F3NO3/c1-18-15-27(38-5)30-24(7-6-8-26(30)37-4)28(18)25-14-11-22-16-19(2)36-20(3)29(22)31(25)39-17-21-9-12-23(13-10-21)32(33,34)35/h6-15,19-20,36H,16-17H2,1-5H3/t19-,20-/m1/s1 |
| InChIKey | AJTNJTGKCZMLNG-WOJBJXKFSA-N |
| Molecular Weight | 535.607 g/mol |
| SMILES | N1[C@@](Cc2ccc(c(c2[C@]1(C)[H])OCc1ccc(C(F)(F)F)cc1)-c1c2c(c(OC)ccc2)c(cc1C)OC)(C)[H] |
| SPLASH | splash10-00di-0002090000-800ff3aebc6fe504b4e2 |
| Source of Spectrum | G4-60-346-19 |
| Synonyms | (1R,3R)-7-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-1,3-dimethyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydroisoquinoline (1R,3R)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydroisoquinoline (1R,3R)-7-(4,5-dimethoxy-2-methyl-1-naphthyl)-1,3-dimethyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydroisoquinoline (1R,3R)-7-(4,5-dimethoxy-2-methyl-naphthalen-1-yl)-1,3-dimethyl-8-[[4-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydroisoquinoline |
| Wiley ID | 1606654 |