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1,4,7,10,13-Pentaoxacyclopentadecane-2-carboxylic acid, 3-[(tetradecylamino)carbonyl]-, [2R-(2R*,3R*)]-
SpectraBase Compound ID CDz5NIqSlw8
InChI InChI=1S/C26H49NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-25(28)23-24(26(29)30)35-22-20-33-18-16-31-15-17-32-19-21-34-23/h23-24H,2-22H2,1H3,(H,27,28)(H,29,30)/t23-,24-/m1/s1
InChIKey QYKZQZRJFKNBRR-DNQXCXABSA-N
Mol Weight 503.7 g/mol
Molecular Formula C26H49NO8
Exact Mass 503.345818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oVzHN63yal
Name 1,4,7,10,13-Pentaoxacyclopentadecane-2-carboxylic acid, 3-[(tetradecylamino)carbonyl]-, [2R-(2R*,3R*)]-
Alternate Name(s) (2R,3R)-3-[(tetradecylamino)carbonyl]-1,4,7,10,13-pentaoxacyclopentadecane-2-carboxylic acid 2r,3R-(+)-N-tetradecyl-2-carboxamido-3-carboxyl-1,4,7,10,13-pentaoxacyclopentadecane
CAS Registry Number 79647-12-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H49NO8
InChI InChI=1S/C26H49NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-25(28)23-24(26(29)30)35-22-20-33-18-16-31-15-17-32-19-21-34-23/h23-24H,2-22H2,1H3,(H,27,28)(H,29,30)/t23-,24-/m1/s1
InChIKey QYKZQZRJFKNBRR-DNQXCXABSA-N
Molecular Weight 503.677 g/mol
SMILES OC([C@]1([C@](C(=O)NCCCCCCCCCCCCCC)(OCCOCCOCCOCCO1)[H])[H])=O
SPLASH splash10-0udj-0050090000-81c9ef3750da6be21a96
Source of Spectrum I-59-1731-0
Wiley ID 1399394