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1,4,7,10,13-Pentaoxacyclopentadecane-2-carboxylic acid, 3-[(octadecylamino)carbonyl]-, [2R-(2R*,3R*)]-
SpectraBase Compound ID 4mxN8IcGU5C
InChI InChI=1S/C30H57NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-29(32)27-28(30(33)34)39-26-24-37-22-20-35-19-21-36-23-25-38-27/h27-28H,2-26H2,1H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1
InChIKey HCVTVDGSKLHOBD-VSGBNLITSA-N
Mol Weight 559.8 g/mol
Molecular Formula C30H57NO8
Exact Mass 559.408418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6f56kF7ObK
Name 1,4,7,10,13-Pentaoxacyclopentadecane-2-carboxylic acid, 3-[(octadecylamino)carbonyl]-, [2R-(2R*,3R*)]-
CAS Registry Number 79647-13-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H57NO8
InChI InChI=1S/C30H57NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-29(32)27-28(30(33)34)39-26-24-37-22-20-35-19-21-36-23-25-38-27/h27-28H,2-26H2,1H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1
InChIKey HCVTVDGSKLHOBD-VSGBNLITSA-N
Molecular Weight 559.785 g/mol
SMILES OC([C@]1([C@](C(=O)NCCCCCCCCCCCCCCCCCC)(OCCOCCOCCOCCO1)[H])[H])=O
SPLASH splash10-0007-0040090000-45dd92c609f62c84fea3
Source of Spectrum I-59-1731-0
Synonyms (2R,3R)-3-[(octadecylamino)carbonyl]-1,4,7,10,13-pentaoxacyclopentadecane-2-carboxylic acid 2r,3R-(+)-N-octadecyl-2-carboxamido-3-carboxyl-1,4,7,10,13-pentaoxacyclopentadecane
Wiley ID 1406658