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3-[[(2R,3S,4R)-4-(2-chloroethyl)-2-[(S)-[(1S)-1-cyclohex-2-enyl]-hydroxy-methyl]-3-hydroxy-5-keto-3-methyl-pyrrolidine-2-carbonyl]thio]propionic acid methyl ester

View entire compound with spectra: 1 NMR

3-[[(2R,3S,4R)-4-(2-chloroethyl)-2-[(S)-[(1S)-1-cyclohex-2-enyl]-hydroxy-methyl]-3-hydroxy-5-keto-3-methyl-pyrrolidine-2-carbonyl]thio]propionic acid methyl ester
SpectraBase Compound ID 8xCsBtAhNBn
InChI InChI=1S/C19H28ClNO6S/c1-18(26)13(8-10-20)16(24)21-19(18,15(23)12-6-4-3-5-7-12)17(25)28-11-9-14(22)27-2/h4,6,12-13,15,23,26H,3,5,7-11H2,1-2H3,(H,21,24)/t12-,13+,15+,18+,19+/m1/s1
InChIKey DJAMGRLEOSFBEQ-MGYLJIMESA-N
Mol Weight 433.95 g/mol
Molecular Formula C19H28ClNO6S
Exact Mass 433.132586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID rY629OgsxY
Name 3-[[(2R,3S,4R)-4-(2-chloroethyl)-2-[(S)-[(1S)-1-cyclohex-2-enyl]-hydroxy-methyl]-3-hydroxy-5-keto-3-methyl-pyrrolidine-2-carbonyl]thio]propionic acid methyl ester
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28ClNO6S
InChI InChI=1S/C19H28ClNO6S/c1-18(26)13(8-10-20)16(24)21-19(18,15(23)12-6-4-3-5-7-12)17(25)28-11-9-14(22)27-2/h4,6,12-13,15,23,26H,3,5,7-11H2,1-2H3,(H,21,24)/t12-,13+,15+,18+,19+/m1/s1
InChIKey DJAMGRLEOSFBEQ-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 433.947 g/mol
Sample ID 29666
Solvent DMSO-D6