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1,28-Dicaffeoyloctacosanediol

Properties

Image

Occurences in reactions

MNX_ID

MNXM115727

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₆H₇₀O₈

charge

mass

750.50707

reference

chebi:176305

InChIKey

IXOGPOOZKLHKNF-BNRZXNFUSA-N

InChI

InChI=1S/C46H70O8/c47-41-31-27-39(37-43(41)49)29-33-45(51)53-35-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-36-54-46(52)34-30-40-28-32-42(48)44(50)38-40/h27-34,37-38,47-50H,1-26,35-36H2/b33-29+,34-30+

SMILES

O=C(/C=C/c1ccc(O)c(O)c1)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:176305 chebi:176305	1,28-Dicaffeoyloctacosanediol 28-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxyoctacosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
hmdb:HMDB0038064	1,28-Dicaffeoyloctacosanediol 28-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}octacosyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 28-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}octacosyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
hmdb:HMDB38064	secondary/obsolete/fantasy identifier