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1,4,7,10,13,16-Hexaoxacyclooctadecane-2-carboxylic acid, 3-[(octadecylamino)carbonyl]-, [2R-(2R*,3R*)]-
SpectraBase Compound ID 8JsE4MA0RlK
InChI InChI=1S/C32H61NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33-31(34)29-30(32(35)36)42-28-26-40-24-22-38-20-19-37-21-23-39-25-27-41-29/h29-30H,2-28H2,1H3,(H,33,34)(H,35,36)/t29-,30-/m1/s1
InChIKey UMNYHBIWQLJGKJ-LOYHVIPDSA-N
Mol Weight 603.8 g/mol
Molecular Formula C32H61NO9
Exact Mass 603.434633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAATct1pe4u
Name 1,4,7,10,13,16-Hexaoxacyclooctadecane-2-carboxylic acid, 3-[(octadecylamino)carbonyl]-, [2R-(2R*,3R*)]-
CAS Registry Number 76871-55-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H61NO9
InChI InChI=1S/C32H61NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33-31(34)29-30(32(35)36)42-28-26-40-24-22-38-20-19-37-21-23-39-25-27-41-29/h29-30H,2-28H2,1H3,(H,33,34)(H,35,36)/t29-,30-/m1/s1
InChIKey UMNYHBIWQLJGKJ-LOYHVIPDSA-N
Molecular Weight 603.838 g/mol
SMILES OC([C@]1([C@](C(=O)NCCCCCCCCCCCCCCCCCC)(OCCOCCOCCOCCOCCO1)[H])[H])=O
SPLASH splash10-0f79-0010089000-ed1605ddcef3cd3eb9ba
Source of Spectrum I-59-1731-0
Synonyms (2R,3R)-3-[(octadecylamino)carbonyl]-1,4,7,10,13,16-hexaoxacyclooctadecane-2-carboxylic acid 2r,3R-(+)-N-octadecyl-2-carboxamido-3-carboxyl-1,4,7,10,13,16-hexaoxacyclooctadecane
Wiley ID 1410388