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(E)-(S)-9-[(N-Benzyl-N-tert-butoxycarbonyl)amino]-6-hydroxy-7-nonenyl pivalate

View entire compound with spectra: 1 MS (GC)

(E)-(S)-9-[(N-Benzyl-N-tert-butoxycarbonyl)amino]-6-hydroxy-7-nonenyl pivalate
SpectraBase Compound ID IqqXtjcbO6I
InChI InChI=1S/C26H41NO5/c1-25(2,3)23(29)31-19-12-8-11-16-22(28)17-13-18-27(24(30)32-26(4,5)6)20-21-14-9-7-10-15-21/h7,9-10,13-15,17,22,28H,8,11-12,16,18-20H2,1-6H3/b17-13+/t22-/m0/s1
InChIKey FVNFLLNKAUQJAE-OEHGHSTBSA-N
Mol Weight 447.6 g/mol
Molecular Formula C26H41NO5
Exact Mass 447.298473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4asgUSxUmPR
Name (E)-(S)-9-[(N-Benzyl-N-tert-butoxycarbonyl)amino]-6-hydroxy-7-nonenyl pivalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H41NO5
InChI InChI=1S/C26H41NO5/c1-25(2,3)23(29)31-19-12-8-11-16-22(28)17-13-18-27(24(30)32-26(4,5)6)20-21-14-9-7-10-15-21/h7,9-10,13-15,17,22,28H,8,11-12,16,18-20H2,1-6H3/b17-13+/t22-/m0/s1
InChIKey FVNFLLNKAUQJAE-OEHGHSTBSA-N
Molecular Weight 447.616 g/mol
SMILES O[C@](\C=C\CN(C(OC(C)(C)C)=O)Cc1ccccc1)(CCCCCOC(C(C)(C)C)=O)[H]
SPLASH splash10-0aor-9000000000-987d582347977eadc10a
Source of Spectrum F-54-6399-14
Synonyms (6S,7E)-9-[benzyl(tert-butoxycarbonyl)amino]-6-hydroxy-7-nonenyl pivalate (E)-(S)-9-(N-Benzyl-N-tert-butoxycarbonyl)-6-hydroxy-7-nonenyl pivalate 2,2-Dimethylpropanoic acid[(E,6S)-6-hydroxy-9-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]non-7-enyl]ester 2,2-Dimethylpropionic acid[(E,6S)-9-[benzyl(tert-butoxycarbonyl)amino]-6-hydroxy-non-7-enyl]ester [(E,6S)-9-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-6-oxidanyl-non-7-enyl]2,2-dimethylpropanoate [(E,6S)-9-[benzyl(tert-butoxycarbonyl)amino]-6-hydroxy-non-7-enyl]2,2-dimethylpropanoate [(E,6S)-9-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-hydroxynon-7-enyl]2,2-dimethylpropanoate 2,2-Dimethylpropanoic acid [(E,6S)-6-hydroxy-9-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]non-7-enyl] ester [(E,6S)-9-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-hydroxynon-7-enyl] 2,2-dimethylpropanoate [(E,6S)-9-[benzyl(tert-butoxycarbonyl)amino]-6-hydroxy-non-7-enyl] 2,2-dimethylpropanoate [(E,6S)-9-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-6-oxidanyl-non-7-enyl] 2,2-dimethylpropanoate
Wiley ID 807194