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Chemical structure of Isoguaiacin

GC71946

Isoguaiacin

Also known as (6R,7R,8R)-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol

Isoguaiacin is a natural product

ChemicalCAS78341-26-1MW328.4FormulaC20H24O4
CAS number
78341-26-1
Molecular weight
328.4
Formula
C20H24O4
InChIKey
TZAAYUCUPIYQBR-FKANQGBASA-N
Catalogue number
GC71946
Brand
GLPBIO
Computed properties PubChem CID 10314441 · XLogP 4.5 · TPSA 58.9 Ų · H-bond donors 2
XLogP
4.5
TPSA
58.9 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24

SMILES C[C@@H]1CC2=CC(=C(C=C2[C@H]([C@@H]1C)C3=CC(=C(C=C3)O)OC)O)OC

Computed descriptors from PubChem (CID 10314441), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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