| SpectraBase Spectrum ID |
zfF4L9RGm8 |
| Name |
2-[(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]-2-methyl-propanoic Acid 4-(1H-Imidazol-1-yl)butyl Ester |
| Appearance |
Light-yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H36N2O4 |
| InChI |
InChI=1S/C27H36N2O4/c1-18-8-9-21-20(14-18)24-22(30)15-19(16-23(24)33-27(21,4)5)26(2,3)25(31)32-13-7-6-11-29-12-10-28-17-29/h8,10,12,15-17,20-21,30H,6-7,9,11,13-14H2,1-5H3/t20-,21-/m1/s1 |
| InChIKey |
UALDUWDMSJRDJS-NHCUHLMSSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm501165d |
| Molecular Weight |
452.595 g/mol |
| SMILES |
Oc1cc(cc2OC([C@@]3(CC=C(C)C[C@]3(c12)[H])[H])(C)C)C(C(=O)OCCCC[n]1cncc1)(C)C |
| SPLASH |
splash10-0uxr-0016900000-c242fb4f05ed28f19100 |
| Source of Spectrum |
AF-58-676-9d |
| Wiley ID |
1865532 |
![2-[(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]-2-methyl-propanoic Acid 4-(1H-Imidazol-1-yl)butyl Ester](/api/spectrum/zfF4L9RGm8/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]-2-methyl-propanoic Acid 4-(1H-Imidazol-1-yl)butyl Ester")
