Products 6512-66-9

CAS 6512-66-9 is the registry number for Thujaplicatin. Offered by: MedChemExpress. Available pack sizes: Get quote.

Thujaplicatin
MedChemExpress
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Structural formula: {0} (CAS {1})

(3R,4R)-3-[(3,4-dihydroxy-5-methoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one (CAS 6512-66-9) is a chemical compound with the molecular formula C20H22O7 and a molecular weight of 374.4 g/mol. IUPAC name: (3R,4R)-3-[(3,4-dihydroxy-5-methoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one. InChIKey: FMVYKFXTOXIOFV-UONOGXRCSA-N.

Identity
Molecular formulaC20H22O7
Molecular weight374.4 g/mol
IUPAC name(3R,4R)-3-[(3,4-dihydroxy-5-methoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
InChIKeyFMVYKFXTOXIOFV-UONOGXRCSA-N
SMILESCOC1=CC(=CC(=C1O)O)C[C@@H]2[C@H](COC2=O)CC3=CC(=C(C=C3)O)OC

Computed by PubChem (NCBI)

Synonyms: Thujaplicatin, (-)-thujaplicatin
Isomers (same molecular formula)
[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methyl benzoate C20H22O7
(3S,4R)-3-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one C20H22O7
2-[2-[2-(3,4-dimethoxyphenyl)acetyl]-4,5-dimethoxyphenyl]acetic acid C20H22O7
5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one C20H22O7
(3S,4S)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one C20H22O7
7-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-5,8-dimethoxy-6-methyl-2,3-dihydrochromen-4-one C20H22O7
(3R,3aS,6S,6aR)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol C20H22O7
(E)-3-(3,4-dimethoxyphenyl)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)prop-2-en-1-one C20H22O7
4-(2,4-dimethoxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid C20H22O7
(4aS,6S,7S,8R,8aR)-6-(4-methoxyphenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol C20H22O7
(4aR,6S,7R,8R,8aS)-6-(4-methoxyphenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol C20H22O7
(3R,4R)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one C20H22O7

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