![2-[3-[(2S,6S)-6-[(3S)-4-keto-3-methyl-butyl]tetrahydropyran-2-yl]propyl]-6-methoxy-benzoic acid methyl ester](/api/spectrum/PdSQ9Qp9bm/structure.png?h=300&w=458 "2-[3-[(2S,6S)-6-[(3S)-4-keto-3-methyl-butyl]tetrahydropyran-2-yl]propyl]-6-methoxy-benzoic acid methyl ester")
| SpectraBase Compound ID | 8KakicscML9 |
|---|---|
| InChI | InChI=1S/C22H32O5/c1-16(15-23)13-14-19-11-6-10-18(27-19)9-4-7-17-8-5-12-20(25-2)21(17)22(24)26-3/h5,8,12,15-16,18-19H,4,6-7,9-11,13-14H2,1-3H3/t16-,18-,19-/m0/s1 |
| InChIKey | LYKWFOZRVGSWJH-WDSOQIARSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C22H32O5 |
| Exact Mass | 376.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | PdSQ9Qp9bm |
|---|---|
| Name | 2-[3-[(2S,6S)-6-[(3S)-4-keto-3-methyl-butyl]tetrahydropyran-2-yl]propyl]-6-methoxy-benzoic acid methyl ester |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H32O5 |
| InChI | InChI=1S/C22H32O5/c1-16(15-23)13-14-19-11-6-10-18(27-19)9-4-7-17-8-5-12-20(25-2)21(17)22(24)26-3/h5,8,12,15-16,18-19H,4,6-7,9-11,13-14H2,1-3H3/t16-,18-,19-/m0/s1 |
| InChIKey | LYKWFOZRVGSWJH-WDSOQIARSA-N |
| Literature Reference Author | J.R.BACKES,U.KOERT |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2777(2006) |
| Molecular Weight | 376.493 g/mol |
| Sample ID | 44027 |
| Solvent | CDCl3 |