3,4-Dihydroxy-trans-cinnamic acid hentriacontanylester [hentriacontanyl coffeate]

SpectraBase Compound ID	INmSxVvauIy
InChI	InChI=1S/C40H70O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-35-44-40(43)34-32-37-31-33-38(41)39(42)36-37/h31-34,36,41-42H,2-30,35H2,1H3/b34-32+
InChIKey	VIXBRBZKDOADEE-NWBJSICCSA-N Google Search
Mol Weight	615.0 g/mol
Molecular Formula	C40H70O4
Exact Mass	614.527411 g/mol

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SpectraBase Spectrum ID	AEzxJvbrInX
Name	3,4-Dihydroxy-trans-cinnamic acid hentriacontanylester [hentriacontanyl coffeate]
Alternate Name(s)	(E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid hentriacontyl ester Hentriacontyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Hentriacontyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C40H70O4
InChI	InChI=1S/C40H70O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-35-44-40(43)34-32-37-31-33-38(41)39(42)36-37/h31-34,36,41-42H,2-30,35H2,1H3/b34-32+
InChIKey	VIXBRBZKDOADEE-NWBJSICCSA-N
Molecular Weight	614.996 g/mol
SMILES	Oc1cc(ccc1O)\C=C\C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
SPLASH	splash10-0006-0019101000-8beb0b1b32860713ae41
Source of Spectrum	E2-51-1440-1
Wiley ID	1556337