Dieckol

CAS	88095-77-6
Description	Dieckol is a naturally occurring phlorotannin found in some brown algal species.
Synonyms	8,4'''-Dieckol
IUPAC Name	4-[4-[6-(3,5-Dihydroxyphenoxy)-4,7,9-trihydroxydibenzo-p-dioxin-2-yl]oxy-3,5-dihydroxyphenoxy]dibenzo-p-dioxin-1,3,6,8-tetrol
Molecular Weight	742.5
Molecular Formula	C36H22O18
Canonical SMILES	C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C(C=C(C=C4O3)OC5=C(C=C(C=C5O)OC6=C(C=C(C7=C6OC8=C(C=C(C=C8O7)O)O)O)O)O)O)O)O)O
InChI	InChI=1S/C36H22O18/c37-12-1-13(38)3-15(2-12)49-31-22(44)10-25(47)34-35(31)54-30-21(43)8-17(9-27(30)52-34)48-28-19(41)6-16(7-20(28)42)50-32-23(45)11-24(46)33-36(32)53-29-18(40)4-14(39)5-26(29)51-33/h1-11,37-47H
InChI Key	DRZQFGYIIYNNEC-UHFFFAOYSA-N
Boiling Point	999.6±65.0 °C
Purity	95%+
Density	1.850±0.06 g/cm³
Complexity	1240
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	742.08061385
Heavy Atom Count	54
Monoisotopic Mass	742.08061385
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	287 Ų