| SpectraBase Compound ID | LJJ1W0pxAsd |
|---|---|
| InChI | InChI=1S/C18H23BrO6/c1-6-12-15(16-17(23-12)25-18(2,3)24-16)22-9-10-7-13(20-4)14(21-5)8-11(10)19/h6-8,12,15-17H,1,9H2,2-5H3/t12-,15-,16-,17-/m1/s1 |
| InChIKey | CHDXHSJCOQDPBV-BASLNEPJSA-N |
| Mol Weight | 415.28 g/mol |
| Molecular Formula | C18H23BrO6 |
| Exact Mass | 414.067801 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7G0xPEV14ni |
|---|---|
| Name | 5,6-Dideoxy-1,2-O-isopropylidene-3-O-(2-bromo-4,5-dimethoxybenzyl)-.alpha.,D-ribo-hex-5-enofuranoside |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H23BrO6 |
| InChI | InChI=1S/C18H23BrO6/c1-6-12-15(16-17(23-12)25-18(2,3)24-16)22-9-10-7-13(20-4)14(21-5)8-11(10)19/h6-8,12,15-17H,1,9H2,2-5H3/t12-,15-,16-,17-/m1/s1 |
| InChIKey | CHDXHSJCOQDPBV-BASLNEPJSA-N |
| Molecular Weight | 415.280 g/mol |
| SMILES | [C@@]12([C@@](OC(O2)(C)C)(O[C@@]([C@]1(OCc1c(cc(c(c1)OC)OC)Br)[H])(C=C)[H])[H])[H] |
| SPLASH | splash10-04i0-0000900000-02f946fb1dcc13ab5043 |
| Source of Spectrum | K-2001-3349-7 |
| Synonyms | (3aR,5R,6R,6aR)-6-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-5-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (3aR,5R,6R,6aR)-6-[(2-bromo-4,5-dimethoxy-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-4,5-dimethoxy-phenyl)methoxy]-5-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole |
| Wiley ID | 1580183 |