| SpectraBase Spectrum ID |
YZqKHfjxw |
| Name |
(4R,5S,6R)-6-bromo-4,5-dihydroxy-3-methoxy-cyclohex-2-en-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H9BrO4 |
| InChI |
InChI=1S/C7H9BrO4/c1-12-4-2-3(9)5(8)7(11)6(4)10/h2,5-7,10-11H,1H3/t5-,6-,7+/m0/s1 |
| InChIKey |
VXXCSDAIWNGXSE-LYFYHCNISA-N |
| Instrument Name |
QP 5050 Shimadzu |
| Literature Reference DOI |
10.1021/np100837r |
| Molecular Weight |
237.049 g/mol |
| Optical Rotation |
[a]25D = +44.8 (c = 0.2) |
| SMILES |
O[C@@]1([C@@]([C@](C(C=C1OC)=O)(Br)[H])(O)[H])[H] |
| SPLASH |
splash10-06rl-7900000000-7aaf9d0906b13f670c3a |
| Source of Spectrum |
G4-74-762-8 |
| Wiley ID |
1849108 |
