![(1R,3R,4S)-8-(Benzyloxy)-7-bromo-3,4-dihydro-4,5-dihydroxy-1,3-dimethylbenzo[c]pyran](/api/spectrum/3117NCztX23/structure.png?h=300&w=458 "(1R,3R,4S)-8-(Benzyloxy)-7-bromo-3,4-dihydro-4,5-dihydroxy-1,3-dimethylbenzo[c]pyran")
| SpectraBase Compound ID | Lqe8RnwnJnk |
|---|---|
| InChI | InChI=1S/C18H19BrO4/c1-10-15-16(17(21)11(2)23-10)14(20)8-13(19)18(15)22-9-12-6-4-3-5-7-12/h3-8,10-11,17,20-21H,9H2,1-2H3/t10-,11-,17-/m1/s1 |
| InChIKey | YGWABYCYMAZOCY-CZIZLABSSA-N |
| Mol Weight | 379.25 g/mol |
| Molecular Formula | C18H19BrO4 |
| Exact Mass | 378.046672 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3117NCztX23 |
|---|---|
| Name | (1R,3R,4S)-8-(Benzyloxy)-7-bromo-3,4-dihydro-4,5-dihydroxy-1,3-dimethylbenzo[c]pyran |
| Alternate Name(s) | 8-(Benzyloxy)-7-bromo-3,4-dihydro-4,5-dihydroxy-1,3-dimethylbenzo[c]pyran (1R,3R,4S)-8-(benzyloxy)-7-bromo-1,3-dimethylisochroman-4,5-diol (1R,3R,4S)-7-bromo-1,3-dimethyl-8-phenylmethoxy-3,4-dihydro-1H-2-benzopyran-4,5-diol (1R,3R,4S)-7-bromo-1,3-dimethyl-8-phenylmethoxy-3,4-dihydro-1H-isochromene-4,5-diol (1R,3R,4S)-8-benzyloxy-7-bromo-1,3-dimethyl-isochromane-4,5-diol (1R,3R,4S)-7-bromanyl-1,3-dimethyl-8-phenylmethoxy-3,4-dihydro-1H-isochromene-4,5-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H19BrO4 |
| InChI | InChI=1S/C18H19BrO4/c1-10-15-16(17(21)11(2)23-10)14(20)8-13(19)18(15)22-9-12-6-4-3-5-7-12/h3-8,10-11,17,20-21H,9H2,1-2H3/t10-,11-,17-/m1/s1 |
| InChIKey | YGWABYCYMAZOCY-CZIZLABSSA-N |
| Molecular Weight | 379.250 g/mol |
| SMILES | Oc1cc(c(c2c1[C@@]([C@](O[C@@]2(C)[H])(C)[H])(O)[H])OCc1ccccc1)Br |
| SPLASH | splash10-0092-0393000000-850e723cbdc02ddbe1e1 |
| Source of Spectrum | F5-3-271-32 |
| Wiley ID | 1732146 |