Phlorofucofuroeckol A
Basic information
- CAS
128129-56-6- Standard SMILES
Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc4oc5c(Oc6cc(O)cc(O)c6)c(O)cc(O)c5c4c2O3)c1- InChIKey
SLWPBUMYPRVYIJ-UHFFFAOYSA-N- Molecular formula
- C30H18O14
- Average molar mass
- 602.5 g/mol
- Monoisotopic mass
- 602.06965526
Overview
phlorofucofuroeckol A has been reported in Eisenia bicyclis, Ecklonia cava, and other organisms with data available.
Names & identifiers
- Preferred name
- Phlorofucofuroeckol A
- IUPAC
- 4,9-bis(3,5-dihydroxyphenoxy)-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol
- English name
- phlorofucofuroeckol A
- Molecular formula
- C30H18O14
- Molecular weight
- 602.46
Names & synonyms
Phlorofucofuroeckol A128129-56-6phlorofucofuroeckol-ADTXSID401558211,11-Di-(3,5-dihydroxyphenoxy)benzofuro(3,2-a)dibenzo(b,e)(1,4)-dioxin-2,4,8,10,14-pentaol4,9-bis(3,5-dihydroxyphenoxy)-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentolBenzo(b)benzofuro(3,2-f)(1,4)benzodioxin-1,3,6,10,12-pentol, 4,9-bis(3,5-dihydroxyphenoxy)-4,9-bis(3,5-dihydroxyphenoxy)-(1)benzofuro(3,2-a)oxanthrene-1,3,6,10,12-pentolRefChem:173197DTXCID6078312CHEMBL5105084,9-bis(3,5-dihydroxyphenoxy)benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol
Show more names
Benzo[b]benzofuro[3,2-f][1,4]benzodioxin-1,3,6,10,12-pentol, 4,9-bis(3,5-dihydroxyphenoxy)-
C30H18O14SCHEMBL2230693BDBM50276756FP175731Q71865284,9-bis(3,5-dihydroxyphenoxy)[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol4,9-Bis(3,5-dihydroxyphenoxy)benzo[b]benzo[5,6][1,4]dioxino[2,3-e]benzofuran-1,3,6,10,12-pentaol4,9-bis(3,5-dihydroxyphenoxy)benzofuro[3,2-a]dibenzo[b,e][1,4]dioxine-1,3,6,10,12-pentaol
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 232 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 4
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 985
Physicochemical properties
- Boiling point
- 810.9 · 810.9±65.0 °C(Predicted)
- Density
- 1.846 · 1.846±0.06 g/cm3(Predicted)
- pka
- 7.37 · 7.37±0.20(Predicted)
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