| SpectraBase Spectrum ID |
41nIvxrrnhh |
| Name |
3-Buten-2-one, 4-[4-(acetyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-, [1.alpha.,1(E),2.beta.,4.beta.]-(.+-.)- |
| Alternate Name(s) |
(1S,3R,4R)-3,4-dihydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-butenyl]cyclohexyl acetate
(3S,5S,6S)-3-acetoxy-5,6-dihydroxy-5,6-dihydro-.beta.-ionone |
| CAS Registry Number |
96193-09-8 |
| 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+/m0/s1 |
| InChIKey |
XRZYXLFBLVFSGQ-JWIWJUCGSA-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 |
splash10-0006-9300000000-ab4e9bbadb114a152d59 |
| Source of Spectrum |
H-67-2052-0 |
| Wiley ID |
1287775 |
![3-Buten-2-one, 4-[4-(acetyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-, [1.alpha.,1(E),2.beta.,4.beta.]-(.+-.)-](/api/spectrum/41nIvxrrnhh/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.beta.]-(.+-.)-")
