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(2S)-2-formamido-4-methylpentanoic acid [(3S,4R,6S)-3-hexyl-2-oxo-6-undecyl-4-oxanyl] ester
SpectraBase Compound ID 8EVTMucQTrV
InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24-21-27(25(28(32)34-24)19-17-10-8-6-2)35-29(33)26(30-22-31)20-23(3)4/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27+/m0/s1
InChIKey IYWNIYFHQZQPBP-YIPNQBBMSA-N
Mol Weight 495.7 g/mol
Molecular Formula C29H53NO5
Exact Mass 495.392374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fwtru9jnzlH
Name (2S)-2-formamido-4-methylpentanoic acid [(3S,4R,6S)-3-hexyl-2-oxo-6-undecyl-4-oxanyl] ester
Alternate Name(s) [(3S,4R,6S)-3-hexyl-2-oxo-6-undecyloxan-4-yl] (2S)-2-formamido-4-methylpentanoate [(3S,4R,6S)-3-hexyl-2-oxo-6-undecyl-tetrahydropyran-4-yl] (2S)-2-formamido-4-methyl-pentanoate [(3S,4R,6S)-3-hexyl-2-oxidanylidene-6-undecyl-oxan-4-yl] (2S)-2-formamido-4-methyl-pentanoate RO 40-4441
CAS Registry Number 130676-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H53NO5
InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24-21-27(25(28(32)34-24)19-17-10-8-6-2)35-29(33)26(30-22-31)20-23(3)4/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27+/m0/s1
InChIKey IYWNIYFHQZQPBP-YIPNQBBMSA-N
Molecular Weight 495.745 g/mol
SMILES N(C=O)[C@](C(O[C@]1([C@@](C(O[C@](C1)(CCCCCCCCCCC)[H])=O)(CCCCCC)[H])[H])=O)(CC(C)C)[H]
SPLASH splash10-0bu0-0901000000-93f7c044c59574ba8e58
Source of Spectrum H-73-1035-9
Wiley ID 1398107