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1,4,7,10,13,16-Hexaoxacyclooctadecane-2-carboxylic acid, 3-[(octylamino)carbonyl]-, [2R-(2R*,3R*)]-
SpectraBase Compound ID CaL0DituZ8v
InChI InChI=1S/C22H41NO9/c1-2-3-4-5-6-7-8-23-21(24)19-20(22(25)26)32-18-16-30-14-12-28-10-9-27-11-13-29-15-17-31-19/h19-20H,2-18H2,1H3,(H,23,24)(H,25,26)/t19-,20-/m1/s1
InChIKey AWXVLATZWSRSDG-WOJBJXKFSA-N
Mol Weight 463.6 g/mol
Molecular Formula C22H41NO9
Exact Mass 463.278132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AgaNex2UDa
Name 1,4,7,10,13,16-Hexaoxacyclooctadecane-2-carboxylic acid, 3-[(octylamino)carbonyl]-, [2R-(2R*,3R*)]-
CAS Registry Number 76871-53-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H41NO9
InChI InChI=1S/C22H41NO9/c1-2-3-4-5-6-7-8-23-21(24)19-20(22(25)26)32-18-16-30-14-12-28-10-9-27-11-13-29-15-17-31-19/h19-20H,2-18H2,1H3,(H,23,24)(H,25,26)/t19-,20-/m1/s1
InChIKey AWXVLATZWSRSDG-WOJBJXKFSA-N
Molecular Weight 463.568 g/mol
SMILES OC([C@]1([C@](C(=O)NCCCCCCCC)(OCCOCCOCCOCCOCCO1)[H])[H])=O
SPLASH splash10-0002-0020900000-65e34d91830694f4fc40
Source of Spectrum I-59-1731-0
Synonyms (2R,3R)-3-[(octylamino)carbonyl]-1,4,7,10,13,16-hexaoxacyclooctadecane-2-carboxylic acid 2r,3R-(+)-N-octyl-2-carboxamido-3-carboxyl-1,4,7,10,13,16-hexaoxacyclooctadecane
Wiley ID 1391285