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Chemical structure of Lappaol C

GC72083

Lappaol C

Also known as 4-[[3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

Lappaol C is a sesquilignan, which can be isolated from seeds of Arctium lappa L

ChemicalCAS64855-00-1MW554.58FormulaC30H34O10
CAS number
64855-00-1
Molecular weight
554.58
Formula
C30H34O10
InChIKey
BWOAMGHNXHLWMX-UHFFFAOYSA-N
Catalogue number
GC72083
Brand
GLPBIO
Computed properties PubChem CID 323896 · XLogP 3.1 · TPSA 155 Ų · H-bond donors 5
XLogP
3.1
TPSA
155 Ų
H-bond donors
5
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
40

SMILES COC1=CC(=CC(=C1O)C(CO)C(C2=CC(=C(C=C2)O)OC)O)CC3COC(=O)C3CC4=CC(=C(C=C4)O)OC

Computed descriptors from PubChem (CID 323896), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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