| SpectraBase Compound ID | Aw12QYGxCRp |
|---|---|
| InChI | InChI=1S/C17H21BrO5/c1-5-13-14(15-16(21-13)23-17(2,3)22-15)20-9-10-8-11(19-4)6-7-12(10)18/h5-8,13-16H,1,9H2,2-4H3/t13-,14-,15-,16-/m1/s1 |
| InChIKey | DZQCDICMCYHUAA-KLHDSHLOSA-N |
| Mol Weight | 385.25 g/mol |
| Molecular Formula | C17H21BrO5 |
| Exact Mass | 384.057237 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LuNgbj3Ju9D |
|---|---|
| Name | 5,6-Dideoxy-1,2-O-isopropylidene-3-O-(2-Bromo-5-methoxybenzyl)-.alpha.,D-xylo-hex-5-enofuranoside |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H21BrO5 |
| InChI | InChI=1S/C17H21BrO5/c1-5-13-14(15-16(21-13)23-17(2,3)22-15)20-9-10-8-11(19-4)6-7-12(10)18/h5-8,13-16H,1,9H2,2-4H3/t13-,14-,15-,16-/m1/s1 |
| InChIKey | DZQCDICMCYHUAA-KLHDSHLOSA-N |
| Molecular Weight | 385.254 g/mol |
| SMILES | [C@@]12([C@@](OC(O2)(C)C)(O[C@@]([C@]1(OCc1c(ccc(c1)OC)Br)[H])(C=C)[H])[H])[H] |
| SPLASH | splash10-0020-0009000000-640aba0669b7ba2cf985 |
| Source of Spectrum | K-2001-3349-7 |
| Synonyms | 5,6-Dideoxy-1,2-O-isopropylidene-3-O-(2-bromo-5-methoxybenzyl)-.alpha.,D-ribo-hex-5-enofuranoside (3aR,5R,6R,6aR)-6-[(2-bromo-5-methoxyphenyl)methoxy]-5-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (3aR,5R,6R,6aR)-6-[(2-bromo-5-methoxy-phenyl)methoxy]-2,2-dimethyl-5-vinyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (3aR,5R,6R,6aR)-6-[(2-bromanyl-5-methoxy-phenyl)methoxy]-5-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole |
| Wiley ID | 1580184 |