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TETRAHYDROLIPSTATIN
SpectraBase Compound ID 3CKfbeTVn08
InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25+,26-,27+/m0/s1
InChIKey AHLBNYSZXLDEJQ-YYGZZXRFSA-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 5jqXq2Fgvq7
Name (3R,4R)-3-Hexyl-4-[(S)-2'[(S)-4"-methyl-2"-(N-formylamino)pentanoyloxy]tridecyl]-2-oxetanone
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(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25+,26-,27+/m0/s1
InChIKey AHLBNYSZXLDEJQ-YYGZZXRFSA-N
Molecular Weight 495.745 g/mol
SMILES N(C=O)[C@](C(O[C@](C[C@@]1([C@](C(O1)=O)(CCCCCC)[H])[H])(CCCCCCCCCCC)[H])=O)(CC(C)C)[H]
SPLASH splash10-0006-7090000000-e68cc7190f8d883ccde2
Source of Spectrum SO-0-1299-18
Synonyms (1S)-1-{[(2R,3R)-3-hexyl-4-oxooxetanyl]methyl}dodecyl (2S)-2-(formylamino)-4-methylpentanoate (2S)-2-formamido-4-methyl-valeric acid[(1S)-1-[[(2R,3R)-3-hexyl-4-keto-oxetan-2-yl]methyl]dodecyl]ester (2S)-2-formamido-4-methylpentanoic acid[(2S)-1-[(2R,3R)-3-hexyl-4-oxo-2-oxetanyl]tridecan-2-yl]ester [(1S)-1-[[(2R,3R)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl](2S)-2-formamido-4-methyl-pentanoate [(2S)-1-[(2R,3R)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl](2S)-2-formamido-4-methyl-pentanoate [(2S)-1-[(2R,3R)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl](2S)-2-formamido-4-methylpentanoate (2S)-2-formamido-4-methylpentanoic acid [(2S)-1-[(2R,3R)-3-hexyl-4-oxo-2-oxetanyl]tridecan-2-yl] ester [(2S)-1-[(2R,3R)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate [(1S)-1-[[(2R,3R)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] (2S)-2-formamido-4-methyl-pentanoate [(2S)-1-[(2R,3R)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methyl-pentanoate
Wiley ID 1545307