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18-([(1-Phenylethyl)amino]carbonyl)-2,13-dioxabicyclo[12.2.2]octadeca-1(16),14,17-triene-15-carboxylic acid
SpectraBase Compound ID B4PicITgKeR
InChI InChI=1S/C26H33NO5/c1-19(20-13-9-8-10-14-20)27-25(28)22-17-21-18-23(26(29)30)24(22)32-16-12-7-5-3-2-4-6-11-15-31-21/h8-10,13-14,17-19H,2-7,11-12,15-16H2,1H3,(H,27,28)(H,29,30)
InChIKey UTQZXEYMWSUCSB-UHFFFAOYSA-N
Mol Weight 439.6 g/mol
Molecular Formula C26H33NO5
Exact Mass 439.235873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDbjVA37qyf
Name 18-([(1-Phenylethyl)amino]carbonyl)-2,13-dioxabicyclo[12.2.2]octadeca-1(16),14,17-triene-15-carboxylic acid
CAS Registry Number 39622-73-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33NO5
InChI InChI=1S/C26H33NO5/c1-19(20-13-9-8-10-14-20)27-25(28)22-17-21-18-23(26(29)30)24(22)32-16-12-7-5-3-2-4-6-11-15-31-21/h8-10,13-14,17-19H,2-7,11-12,15-16H2,1H3,(H,27,28)(H,29,30)
InChIKey UTQZXEYMWSUCSB-UHFFFAOYSA-N
Molecular Weight 439.552 g/mol
SMILES OC(c1cc2cc(C(=O)NC(c3ccccc3)C)c1OCCCCCCCCCCO2)=O
SPLASH splash10-0a4i-6921000000-686aadd9591e518d85c9
Synonyms 18-(1-phenylethylcarbamoyl)-2,13-dioxabicyclo[12.2.2]octadeca-1(17),14(18),15-triene-15-carboxylic acid 18-[oxo-(1-phenylethylamino)methyl]-2,13-dioxabicyclo[12.2.2]octadeca-1(17),14(18),15-triene-15-carboxylic acid 2,13-Dioxabicyclo[12.2.2]octadeca-14,16,17-triene-15-carboxylic acid, 18-[[(1-phenylethyl)amino]carbonyl]-, stereoisomer
Wiley ID 1485662