| SpectraBase Spectrum ID |
B0zRkzXjiil |
| Name |
3-Buten-2-one, 4-[4-(acetyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-, [1.alpha.,1(E),2.beta.,4.alpha.]-(.+-.)- |
| Alternate Name(s) |
(1R,3R,4R)-3,4-dihydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-butenyl]cyclohexyl acetate
(3S,5R,6R)-3-acetoxy-5,6-dihydroxy-5,6-dihydro-.beta.-ionone
4-[(1R,2R,4S)-4-acetoxy-1,2-dihydroxy-2,6,6-trimethylhexyl]-3-buten-2-one |
| CAS Registry Number |
96193-08-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H24O5 |
| InChI |
InChI=1S/C15H24O5/c1-10(16)6-7-15(19)13(3,4)8-12(20-11(2)17)9-14(15,5)18/h6-7,12,18-19H,8-9H2,1-5H3/b7-6+/t12-,14-,15-/m1/s1 |
| InChIKey |
XRZYXLFBLVFSGQ-RNMDYQGISA-N |
| Molecular Weight |
284.352 g/mol |
| SMILES |
O[C@]1([C@](C(C[C@](C1)(OC(=O)C)[H])(C)C)(\C=C\C(=O)C)O)C |
| SPLASH |
splash10-0006-9310000000-f2d8fd2e6420ab0fa759 |
| Source of Spectrum |
H-67-2052-0 |
| Wiley ID |
1287774 |
![3-Buten-2-one, 4-[4-(acetyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-, [1.alpha.,1(E),2.beta.,4.alpha.]-(.+-.)-](/api/spectrum/B0zRkzXjiil/structure.png?h=300&w=458 "3-Buten-2-one, 4-[4-(acetyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-, [1.alpha.,1(E),2.beta.,4.alpha.]-(.+-.)-")
