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Chemical structure of Pseudoaspidin

GC39003

Pseudoaspidin

Also known as 1-[3-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4-dihydroxy-6-methoxy-5-methylphenyl]butan-1-one

Pseudoaspidin is isolated from the ferns of the class Pterophyta or Filicinae

ChemicalCAS478-28-4MW460.52FormulaC25H32O8
CAS number
478-28-4
Molecular weight
460.52
Formula
C25H32O8
Solubility
Soluble in DMSO
InChIKey
ASBDWVACJRRBIZ-UHFFFAOYSA-N
Catalogue number
GC39003
Brand
GLPBIO
Computed properties PubChem CID 5320755 · XLogP 5.2 · TPSA 134 Ų · H-bond donors 4
XLogP
5.2
TPSA
134 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
33

SMILES CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(=C(C(=C2O)C)OC)C(=O)CCC)O)O)C)OC

Computed descriptors from PubChem (CID 5320755), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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