| SpectraBase Spectrum ID |
2NGpZewd7EI |
| Name |
(2R,3S,4R,5R)-2-(6-m-Methoxyphenyl-3-oxohexyl)-3-hydroxy-2,4,5-trimethylcyclopentaone |
| Alternate Name(s) |
(2R,3S,4R,5R)-3-hydroxy-2-[6-(3-methoxyphenyl)-3-oxohexyl]-2,4,5-trimethylcyclopentanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O4 |
| InChI |
InChI=1S/C21H30O4/c1-14-15(2)20(24)21(3,19(14)23)12-11-17(22)9-5-7-16-8-6-10-18(13-16)25-4/h6,8,10,13-15,19,23H,5,7,9,11-12H2,1-4H3/t14-,15-,19+,21-/m1/s1 |
| InChIKey |
LNTCQTTVGVFXAJ-CMCRGWCASA-N |
| Molecular Weight |
346.467 g/mol |
| SMILES |
O[C@@]1([C@](C([C@](C)([C@]1(C)[H])[H])=O)(CCC(=O)CCCc1cc(OC)ccc1)C)[H] |
| SPLASH |
splash10-00fv-0912000000-58cb245c61f9f637c60c |
| Source of Spectrum |
QC-7-1565-4 |
| Wiley ID |
869261 |
