| SpectraBase Compound ID | IIZJBJnERbn |
|---|---|
| InChI | InChI=1S/C31H32BrNO3/c1-18-15-27(35-5)30-24(7-6-8-26(30)34-4)28(18)25-14-11-22-16-19(2)33-20(3)29(22)31(25)36-17-21-9-12-23(32)13-10-21/h6-15,19-20,33H,16-17H2,1-5H3/t19-,20-/m1/s1 |
| InChIKey | IZXDWLTZGPXCHJ-WOJBJXKFSA-N |
| Mol Weight | 546.5 g/mol |
| Molecular Formula | C31H32BrNO3 |
| Exact Mass | 545.156557 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6W0MEgPjwtv |
|---|---|
| Name | 8-O-(p-Bromobenzyl)-Dioncophylline A |
| Alternate Name(s) | (1R,3R)-8-[(4-bromophenyl)methoxy]-7-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline (1R,3R)-8-[(4-bromophenyl)methoxy]-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline (1R,3R)-8-[(4-bromophenyl)methoxy]-7-(4,5-dimethoxy-2-methyl-1-naphthyl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline (1R,3R)-8-[(4-bromophenyl)methoxy]-7-(4,5-dimethoxy-2-methyl-naphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H32BrNO3 |
| InChI | InChI=1S/C31H32BrNO3/c1-18-15-27(35-5)30-24(7-6-8-26(30)34-4)28(18)25-14-11-22-16-19(2)33-20(3)29(22)31(25)36-17-21-9-12-23(32)13-10-21/h6-15,19-20,33H,16-17H2,1-5H3/t19-,20-/m1/s1 |
| InChIKey | IZXDWLTZGPXCHJ-WOJBJXKFSA-N |
| Molecular Weight | 546.505 g/mol |
| SMILES | N1[C@@](Cc2ccc(c(c2[C@]1(C)[H])OCc1ccc(cc1)Br)-c1c2c(c(OC)ccc2)c(cc1C)OC)(C)[H] |
| SPLASH | splash10-001i-0002090000-28107eca3dc8ebf23eec |
| Source of Spectrum | G4-60-346-16 |
| Wiley ID | 1606657 |