| SpectraBase Spectrum ID |
8emOftRQc4H |
| Name |
2-Cyclohexen-1-one, 6-(acetyloxy)-3-(3-hydroxy-3-methyl-1-penten-4-ynyl)-2,4,4-trimethyl- , [S-[R*,S*-(E)]]- |
| Alternate Name(s) |
(1R)-4-[(1E,3S)-3-hydroxy-3-methyl-1-penten-4-ynyl]-3,5,5-trimethyl-2-oxo-3-cyclohexen-1-yl acetate
(3S)-[4-(3-hydroxy-3-methyl-1-penten-4-inyl)-3,5,5-trimethyl-2-oxo-3-cyclohexenyl]ester of acetic acid |
| CAS Registry Number |
80736-81-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22O4 |
| InChI |
InChI=1S/C17H22O4/c1-7-17(6,20)9-8-13-11(2)15(19)14(21-12(3)18)10-16(13,4)5/h1,8-9,14,20H,10H2,2-6H3/b9-8+/t14-,17-/m1/s1 |
| InChIKey |
OYQAKVYAGJTIQG-QETWALASSA-N |
| Molecular Weight |
290.359 g/mol |
| SMILES |
O[C@](C#C)(\C=C\C1=C(C(=O)[C@@](CC1(C)C)(OC(=O)C)[H])C)C |
| SPLASH |
splash10-000f-9810000000-4c7d2aafbfe31fda59c5 |
| Source of Spectrum |
H-64-2434-0 |
| Wiley ID |
1293701 |
![2-Cyclohexen-1-one, 6-(acetyloxy)-3-(3-hydroxy-3-methyl-1-penten-4-ynyl)-2,4,4-trimethyl- , [S-[R*,S*-(E)]]-](/api/spectrum/8emOftRQc4H/structure.png?h=300&w=458 "2-Cyclohexen-1-one, 6-(acetyloxy)-3-(3-hydroxy-3-methyl-1-penten-4-ynyl)-2,4,4-trimethyl- , [S-[R*,S*-(E)]]-")
