| SpectraBase Compound ID | HnhlsiUZEmN |
|---|---|
| InChI | InChI=1S/C31H32N2O5/c1-18-15-27(37-5)30-24(7-6-8-26(30)36-4)28(18)25-14-11-22-16-19(2)32-20(3)29(22)31(25)38-17-21-9-12-23(13-10-21)33(34)35/h6-15,19-20,32H,16-17H2,1-5H3/t19-,20-/m1/s1 |
| InChIKey | XFNODTTZVPTIHU-WOJBJXKFSA-N |
| Mol Weight | 512.6 g/mol |
| Molecular Formula | C31H32N2O5 |
| Exact Mass | 512.231122 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9tX0HJp43CC |
|---|---|
| Name | 8-O-(p-Nitrobenzyl)-Dioncophylline A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H32N2O5 |
| InChI | InChI=1S/C31H32N2O5/c1-18-15-27(37-5)30-24(7-6-8-26(30)36-4)28(18)25-14-11-22-16-19(2)32-20(3)29(22)31(25)38-17-21-9-12-23(13-10-21)33(34)35/h6-15,19-20,32H,16-17H2,1-5H3/t19-,20-/m1/s1 |
| InChIKey | XFNODTTZVPTIHU-WOJBJXKFSA-N |
| Molecular Weight | 512.606 g/mol |
| SMILES | N1[C@@](Cc2ccc(c(c2[C@]1(C)[H])OCc1ccc(N(=O)=O)cc1)-c1c2c(c(OC)ccc2)c(cc1C)OC)(C)[H] |
| SPLASH | splash10-01ot-0006930000-21635b0131f4e45e8a71 |
| Source of Spectrum | G4-60-346-18 |
| Synonyms | (1R,3R)-7-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-1,3-dimethyl-8-[(4-nitrophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline (1R,3R)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-8-[(4-nitrophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline (1R,3R)-7-(4,5-dimethoxy-2-methyl-1-naphthyl)-1,3-dimethyl-8-[(4-nitrophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline (1R,3R)-7-(4,5-dimethoxy-2-methyl-naphthalen-1-yl)-1,3-dimethyl-8-[(4-nitrophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline |
| Wiley ID | 1606655 |