4-((2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl)-3-((4-hydroxy-3-methoxyphenyl)methyl)oxolan-2-one
Basic information
- CAS
62333-08-8- Standard SMILES
COc1cc(CC2C(=O)OCC2Cc2cc(OC)c3c(c2)C(CO)C(c2ccc(O)c(OC)c2)O3)ccc1O- InChIKey
PYLYQTVVQXPBIJ-UHFFFAOYSA-N- Molecular formula
- C30H32O9
- Average molar mass
- 536.6 g/mol
- Monoisotopic mass
- 536.20463259
Overview
Lappaol A has been reported in Arctium lappa, Arctium, and Cousinia with data available.
Names & identifiers
- Preferred name
- 4-((2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl)-3-((4-hydroxy-3-methoxyphenyl)methyl)oxolan-2-one
- IUPAC
- 4-[[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
- English name
- 4-[[2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-hydroxymethyl-7-methoxybenzofuran-5-yl]methyl]-4,5-dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]furan-2(3H)-one
- Molecular formula
- C30H32O9
- Molecular weight
- 536.57
Names & synonyms
4-[[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-oneDTXSID209778864-{[2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl}-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one4-((2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl)-3-((4-hydroxy-3-methoxyphenyl)methyl)oxolan-2-oneRefChem:1069634DTXCID101405218NSC287066MCA33308FS-81904-[[2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-hydroxymethyl-7-methoxybenzofuran-5-yl]methyl]-4,5-dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]furan-2(3H)-oneDB-2950054-[[2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-hydroxymethyl-7-methoxybenzofuran-5-yl ]methyl ]-4,5-dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl ]furan-2(3h)-one
Show more names
Lappaol A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 809
Physicochemical properties
- Boiling point
- 737.7 · 737.7±60.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- pka
- 9.81 · 9.81±0.35(Predicted)
- form
- Solid
- color
- Off-white to light yellow
- FDA UNII
- 544603 T7 · YU544603T7
Chemistry & industry
Applications
UsesLappaol A is a natural compound with antiaging activity[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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