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1,4,7,10,13,16-Hexaoxacyclooctadecane-2-carboxylic acid, 3-[(tetradecylamino)carbonyl]-, [2R-(2R*,3R*)]-
SpectraBase Compound ID 5Bbt2q4lc9f
InChI InChI=1S/C28H53NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-29-27(30)25-26(28(31)32)38-24-22-36-20-18-34-16-15-33-17-19-35-21-23-37-25/h25-26H,2-24H2,1H3,(H,29,30)(H,31,32)/t25-,26-/m1/s1
InChIKey XNUZKWSNLMYJJT-CLJLJLNGSA-N
Mol Weight 547.7 g/mol
Molecular Formula C28H53NO9
Exact Mass 547.372032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4izaKGiPJn
Name 1,4,7,10,13,16-Hexaoxacyclooctadecane-2-carboxylic acid, 3-[(tetradecylamino)carbonyl]-, [2R-(2R*,3R*)]-
CAS Registry Number 76871-54-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H53NO9
InChI InChI=1S/C28H53NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-29-27(30)25-26(28(31)32)38-24-22-36-20-18-34-16-15-33-17-19-35-21-23-37-25/h25-26H,2-24H2,1H3,(H,29,30)(H,31,32)/t25-,26-/m1/s1
InChIKey XNUZKWSNLMYJJT-CLJLJLNGSA-N
Molecular Weight 547.730 g/mol
SMILES OC([C@]1([C@](C(=O)NCCCCCCCCCCCCCC)(OCCOCCOCCOCCOCCO1)[H])[H])=O
SPLASH splash10-0002-0020090000-2afad8fe5941c0d44fe7
Source of Spectrum I-59-1731-0
Synonyms (2R,3R)-3-[(tetradecylamino)carbonyl]-1,4,7,10,13,16-hexaoxacyclooctadecane-2-carboxylic acid 2r,3R-(+)-N-tetradecyl-2-carboxamido-3-carboxyl-1,4,7,10,13,16-hexaoxacyclooctadecane
Wiley ID 1405355