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Chemical structure of Pyrogallol-phloroglucinol-6,6-bieckol

GC71910

Pyrogallol-phloroglucinol-6,6-bieckol

Also known as 4-(3,5-dihydroxyphenoxy)-9-[6-[3-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-5-hydroxyphenoxy]-2,4,7,9-tetrahydroxydibenzo-p-dioxin-1-yl]dibenzo-p-dioxin-1,3,6,8-tetrol

Pyrogallol-phloroglucinol-6,6-bieckol is an antioxidant agent that can be isolated from Ecklonia

ChemicalCAS1415504-32-3MW974.74FormulaC48H30O23
CAS number
1415504-32-3
Molecular weight
974.74
Formula
C48H30O23
Solubility
DMSO ： 100 mg/mL (102·59 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
NRVFUTPNGVTCSI-UHFFFAOYSA-N
Catalogue number
GC71910
Brand
GLPBIO
Computed properties PubChem CID 102231174 · XLogP 6.6 · TPSA 377 Ų · H-bond donors 15
XLogP
6.6
TPSA
377 Ų
H-bond donors
15
H-bond acceptors
23
Rotatable bonds
9
Heavy atoms
71

SMILES C1=C(C=C(C=C1O)OC2=C(C=C(C=C2O)OC3=CC(=CC(=C3)O)OC4=C(C=C(C5=C4OC6=C(C=C(C(=C6O5)C7=C8C(=C(C=C7O)O)OC9=C(O8)C(=CC(=C9OC1=CC(=CC(=C1)O)O)O)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 102231174), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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