| SpectraBase Spectrum ID |
9ir05Jyh6O |
| Name |
(2R,3R,4R,4aR,7R,8aS)-Octahydro-3-hydroxy-7-methyl-5-oxo-2-[(1E)-prop-1-enyl]pyrazano[4,3-b]pyran-4-yl 4-Bromobenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H21BrO6 |
| InChI |
InChI=1S/C19H21BrO6/c1-3-4-13-16(21)17(15-14(25-13)9-10(2)24-19(15)23)26-18(22)11-5-7-12(20)8-6-11/h3-8,10,13-17,21H,9H2,1-2H3/b4-3+/t10-,13?,14-,15+,16?,17?/m0/s1 |
| InChIKey |
KZGYJUHHZSASJE-FIRYSZCCSA-N |
| Molecular Weight |
425.275 g/mol |
| SMILES |
OC1C([C@@]2(C(O[C@](C[C@@]2(OC1\C=C\C)[H])(C)[H])=O)[H])OC(c1ccc(cc1)Br)=O |
| SPLASH |
splash10-0ik9-0900000000-d1112f202aeaf5a77adb |
| Source of Spectrum |
U1-2008-5644-2b |
| Wiley ID |
1662233 |
![(2R,3R,4R,4aR,7R,8aS)-Octahydro-3-hydroxy-7-methyl-5-oxo-2-[(1E)-prop-1-enyl]pyrazano[4,3-b]pyran-4-yl 4-Bromobenzoate](/api/spectrum/9ir05Jyh6O/structure.png?h=300&w=458 "(2R,3R,4R,4aR,7R,8aS)-Octahydro-3-hydroxy-7-methyl-5-oxo-2-[(1E)-prop-1-enyl]pyrazano[4,3-b]pyran-4-yl 4-Bromobenzoate")
