Chem
J-GLOBAL ID:200907061438376274
Nikkaji number:J82.063F
Diferulic acid
ジフェルラ酸
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Substance type:
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
Molecular formula:
C20 H20 O8
Molecular formula furigana:
C20-H20-O8
Molecular weight:
388.372
InChI:
InChI=1S/C20H20O8/c1-27-15-5-9(3-4-13(15)21)18-11-6-14(22)16(28-2)7-10(11)12(8-17(23)24)19(18)20(25)26/h3-7,12,18-19,21-22H,8H2,1-2H3,(H,23,24)(H,25,26)
InChI key:
XSMLGRBBXJBHMI-UHFFFAOYSA-N
SMILES:
COc1cc2C(CC(=O)O)C(C(c2cc1O)c1ccc(O)c(OC)c1)C(=O)O
Systematic name (3):
2-カルボキシ-2,3-ジヒドロ-5-ヒドロキシ-3-(4-ヒドロキシ-3-メトキシフェニル)-6-メトキシ-1H-インデン-1-酢酸
1-(カルボキシメチル)-5-ヒドロキシ-3-(4-ヒドロキシ-3-メトキシフェニル)-6-メトキシ-2,3-ジヒドロ-1H-インデン-2-カルボン酸
1-(carboxymethyl)-5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-indene-2-carboxylic acid
Other name (3):
ジフェルラ酸
Diferulic acid
2-Carboxy-2,3-dihydro-5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1H-indene-1-acetic acid
CAS registry number:
436-96-4
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