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(2Z,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
SpectraBase Compound ID KFHpiAcJPzd
InChI InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12-
InChIKey IHUNBGSDBOWDMA-UGOGCBOOSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iu8wIioFQn1
Name (2Z,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
CAS Registry Number 69427-46-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12-
InChIKey IHUNBGSDBOWDMA-UGOGCBOOSA-N
Molecular Weight 326.436 g/mol
SMILES OC(\C=C/(\C=C\C=C\(\C=C\c1c(c(C)c(cc1C)OC)C)C)C)=O
SPLASH splash10-0w59-0894000000-58c26c2284991ec38d96
Source of Spectrum H-61-2707-0
Synonyms 13-cis-acitretin 13-cis-etretin 2,4,6,8-Noneatetraenoic acid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, (Z,E,e,E)- Isoacitretin RO 13-7652
Wiley ID 1325091