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 |