![3-[[(2R,3S,4R)-2-[(S)-[(1S)-1-cyclohex-2-enyl]-hydroxy-methyl]-4-ethyl-3-hydroxy-5-keto-3-methyl-pyrrolidine-2-carbonyl]thio]propionic acid methyl ester](/api/spectrum/9N3YDb6ONwA/structure.png?h=300&w=458 "3-[[(2R,3S,4R)-2-[(S)-[(1S)-1-cyclohex-2-enyl]-hydroxy-methyl]-4-ethyl-3-hydroxy-5-keto-3-methyl-pyrrolidine-2-carbonyl]thio]propionic acid methyl ester")
| SpectraBase Compound ID | 4epkbb3rJYe |
|---|---|
| InChI | InChI=1S/C19H29NO6S/c1-4-13-16(23)20-19(18(13,2)25,15(22)12-8-6-5-7-9-12)17(24)27-11-10-14(21)26-3/h6,8,12-13,15,22,25H,4-5,7,9-11H2,1-3H3,(H,20,23)/t12-,13+,15+,18+,19+/m1/s1 |
| InChIKey | GKILHCZWRBPHMH-MGYLJIMESA-N |
| Mol Weight | 399.5 g/mol |
| Molecular Formula | C19H29NO6S |
| Exact Mass | 399.171559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9N3YDb6ONwA |
|---|---|
| Name | 3-[[(2R,3S,4R)-2-[(S)-[(1S)-1-cyclohex-2-enyl]-hydroxy-methyl]-4-ethyl-3-hydroxy-5-keto-3-methyl-pyrrolidine-2-carbonyl]thio]propionic acid methyl ester |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H29NO6S |
| InChI | InChI=1S/C19H29NO6S/c1-4-13-16(23)20-19(18(13,2)25,15(22)12-8-6-5-7-9-12)17(24)27-11-10-14(21)26-3/h6,8,12-13,15,22,25H,4-5,7,9-11H2,1-3H3,(H,20,23)/t12-,13+,15+,18+,19+/m1/s1 |
| InChIKey | GKILHCZWRBPHMH-MGYLJIMESA-N |
| Literature Reference Author | K.A.REED,R.R.MANAM,S.S.MITCHELL,J.XU,S.TEISAN,T.H.CHAO,G.DEY ANAT-YAZDI,S.T.C.NEU |
| Literature Reference Citation | J.NAT.PROD.,70,269(2007) |
| Literature Reference DOI | 10.1021/np0603471 |
| Molecular Weight | 399.502 g/mol |
| Sample ID | 29667 |
| Solvent | DMSO-D6 |