| SpectraBase Spectrum ID |
931GAU0Z7qe |
| Name |
2,4,4-Trimethyl-3-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-yl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate |
| CAS Registry Number |
71596-61-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H32O5 |
| InChI |
InChI=1S/C23H32O5/c1-14(24)8-9-16-15(2)17(10-11-20(16,3)4)27-19(26)23-13-12-22(7,18(25)28-23)21(23,5)6/h8-9,17H,10-13H2,1-7H3/b9-8+/t17?,22-,23+/m1/s1 |
| InChIKey |
CQAOPPLKJMQKAQ-HBQNCFHYSA-N |
| Molecular Weight |
388.504 g/mol |
| SMILES |
C[C@]12C([C@@](CC2)(OC1=O)C(=O)OC1C(C)=C(C(CC1)(C)C)\C=C\C(=O)C)(C)C |
| SPLASH |
splash10-0006-7900000000-f93f5018726798a32e36 |
| Synonyms |
4-[(Camphanoyl)oxy]-.beta.-ionone
4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, 2,4,4-trimethyl-3-(3-oxo-but-1-enyl)-cyclohex-2-enyl ester
1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid [2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]-1-cyclohex-2-enyl] ester
[2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-yl] 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate
[2,4,4-trimethyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-2-en-1-yl] 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate |
| Wiley ID |
1479956 |
![2,4,4-Trimethyl-3-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-yl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate](/api/spectrum/931GAU0Z7qe/structure.png?h=300&w=458 "2,4,4-Trimethyl-3-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-yl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate")
