| SpectraBase Spectrum ID |
AHF2EuY7xNq |
| Name |
2-[(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]acetic Acid 4-Bromo-butyl Ester |
| Appearance |
Light-yellow gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H29BrO4 |
| InChI |
InChI=1S/C22H29BrO4/c1-14-6-7-17-16(10-14)21-18(24)11-15(12-19(21)27-22(17,2)3)13-20(25)26-9-5-4-8-23/h6,11-12,16-17,24H,4-5,7-10,13H2,1-3H3/t16-,17-/m1/s1 |
| InChIKey |
CDXTXOOFOAEXDG-IAGOWNOFSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm501165d |
| Molecular Weight |
437.374 g/mol |
| SMILES |
Oc1cc(cc2OC([C@@]3(CC=C(C)C[C@]3(c12)[H])[H])(C)C)CC(=O)OCCCCBr |
| SPLASH |
splash10-0019-0098400000-b7621314a13e05efbebb |
| Source of Spectrum |
AF-58-674-6a |
| Wiley ID |
1865526 |
![2-[(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]acetic Acid 4-Bromo-butyl Ester](/api/spectrum/AHF2EuY7xNq/structure.png?h=300&w=458 "2-[(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]acetic Acid 4-Bromo-butyl Ester")
