Chem
J-GLOBAL ID：200907042252814218
Nikkaji number：J1.886.938A
(2R)-2β-(3-Methoxy-4-hydroxyphenyl)-3α-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-propionic acid
(2R)-2β-(3-メトキシ-4-ヒドロキシフェニル)-3α-(ヒドロキシメチル)-7-メトキシ-2,3-ジヒドロベンゾフラン-5-プロピオン酸
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C20H22O7
Molecular formula furigana： C20-H22-O7
Molecular weight： 374.389
InChI：
InChI=1S/C20H22O7/c1-25-16-9-12(4-5-15(16)22)19-14(10-21)13-7-11(3-6-18(23)24)8-17(26-2)20(13)27-19/h4-5,7-9,14,19,21-22H,3,6,10H2,1-2H3,(H,23,24)/t14-,19+/m1/s1
InChI key：
TZAVPCIAHLZJPJ-KUHUBIRLSA-N
SMILES：
COc1cc(CCC(=O)O)cc2[C@@H](CO)[C@@H](Oc12)c1ccc(O)c(OC)c1
Systematic name (3)：
- (2R)-2β-(3-メトキシ-4-ヒドロキシフェニル)-3α-(ヒドロキシメチル)-7-メトキシ-2,3-ジヒドロベンゾフラン-5-プロピオン酸
- 3-[(2R,3S)-2-(4-ヒドロキシ-3-メトキシフェニル)-3-(ヒドロキシメチル)-7-メトキシ-2,3-ジヒドロ-1-ベンゾフラン-5-イル]プロパン酸
- 3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
- (2R)-2β-(3-Methoxy-4-hydroxyphenyl)-3α-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-propionic acid
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