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1-(5'-Hydroxy-4'-hydroxymethyl-1'-methyl-1H-pyrrol-2'-yl)-henicosa-2,12,15-trien-1-one

View entire compound with spectra: 1 MS (GC)

1-(5'-Hydroxy-4'-hydroxymethyl-1'-methyl-1H-pyrrol-2'-yl)-henicosa-2,12,15-trien-1-one
SpectraBase Compound ID 2BE59cyCaUG
InChI InChI=1S/C27H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)25-22-24(23-29)27(31)28(25)2/h7-8,10-11,20-22,29,31H,3-6,9,12-19,23H2,1-2H3/b8-7-,11-10-,21-20-
InChIKey HUNFVNYDIHJLGT-UVCJQDAQSA-N
Mol Weight 429.6 g/mol
Molecular Formula C27H43NO3
Exact Mass 429.324294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fZEF5G2DJU
Name 1-(5'-Hydroxy-4'-hydroxymethyl-1'-methyl-1H-pyrrol-2'-yl)-henicosa-2,12,15-trien-1-one
Alternate Name(s) (2Z,12Z,15Z)-1-(5-hydroxy-4-(hydroxymethyl)-1-methyl-1H-pyrrol-2-yl)henicosa-2,12,15-trien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43NO3
InChI InChI=1S/C27H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)25-22-24(23-29)27(31)28(25)2/h7-8,10-11,20-22,29,31H,3-6,9,12-19,23H2,1-2H3/b8-7-,11-10-,21-20-
InChIKey HUNFVNYDIHJLGT-UVCJQDAQSA-N
Literature Reference DOI 10.1002/cjoc.200790123
Molecular Weight 429.645 g/mol
SMILES OCc1cc([n](c1O)C)C(\C=C/CCCCCCCC\C=C/C\C=C/CCCCC)=O
SPLASH splash10-0006-9101000000-066a57137762f0edf554
Source of Spectrum CJC-25-664-2
Wiley ID 1774429