3,4-Dihydroxy-trans-cinnamic acid nonacosanylester [nonacosanyl caffeate]

SpectraBase Compound ID	7J5qKCgv7ni
InChI	InChI=1S/C38H66O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-42-38(41)32-30-35-29-31-36(39)37(40)34-35/h29-32,34,39-40H,2-28,33H2,1H3/b32-30+
InChIKey	QGGNKCVMGSWVQA-NHQGMKOOSA-N Google Search
Mol Weight	586.9 g/mol
Molecular Formula	C38H66O4
Exact Mass	586.496111 g/mol

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SpectraBase Spectrum ID	EJ2t3m1ser2
Name	3,4-Dihydroxy-trans-cinnamic acid nonacosanylester [nonacosanyl caffeate]
Alternate Name(s)	(E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid nonacosyl ester nonacosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate nonacosyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C38H66O4
InChI	InChI=1S/C38H66O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-42-38(41)32-30-35-29-31-36(39)37(40)34-35/h29-32,34,39-40H,2-28,33H2,1H3/b32-30+
InChIKey	QGGNKCVMGSWVQA-NHQGMKOOSA-N
Molecular Weight	586.942 g/mol
SMILES	Oc1cc(ccc1O)\C=C\C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
SPLASH	splash10-0006-0019100000-2f81a91df16002968462
Source of Spectrum	E2-51-1440-1
Wiley ID	1556317