Chem
J-GLOBAL ID:201307087227762161
Nikkaji number:J3.211.022C
Amorfrutin B
アモルフルチンB
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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:
C26 H32 O4
Molecular formula furigana:
C26-H32-O4
Molecular weight:
408.538
InChI:
InChI=1S/C26H32O4/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20/h5-7,9,11-13,17,27H,8,10,14-16H2,1-4H3,(H,28,29)/b19-13+
InChI key:
DKNIJLWIVUCTHW-CPNJWEJPSA-N
SMILES:
COc1cc(CCc2ccccc2)c(C(=O)O)c(O)c1C/C=C(\C)/CCC=C(C)C
Systematic name (3):
2-ヒドロキシ-4-メトキシ-3-[(E)-3,7-ジメチルオクタ-2,6-ジエニル]-6-フェネチル安息香酸
3-[(2E)-3,7-ジメチルオクタ-2,6-ジエン-1-イル]-2-ヒドロキシ-4-メトキシ-6-(2-フェニルエチル)安息香酸
3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid
Other name (3):
2-Hydroxy-4-methoxy-3-[(E)-3,7-dimethylocta-2,6-dienyl]-6-phenethylbenzoic acid
アモルフルチンB
Amorfrutin B
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