Chem
J-GLOBAL ID：201307034779781610
Nikkaji number：J3.172.599B
(1R)-1,4α,5α-Trihydroxy-3β-[(E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]cyclohexane-1β-carboxylic acid
(1R)-1,4α,5α-トリヒドロキシ-3β-[(E)-3-(4-ヒドロキシフェニル)-1-オキソ-2-プロペニル]シクロヘキサン-1β-カルボン酸
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： C16H18O7
Molecular formula furigana： C16-H18-O7
Molecular weight： 322.313
InChI：
InChI=1S/C16H18O7/c17-10-4-1-9(2-5-10)3-6-12(18)11-7-16(23,15(21)22)8-13(19)14(11)20/h1-6,11,13-14,17,19-20,23H,7-8H2,(H,21,22)/b6-3+/t11-,13+,14-,16+/m0/s1
InChI key：
ILHKZXNRFPFBPM-DGWRQNELSA-N
SMILES：
O[C@@H]1C[C@](O)(C[C@H]([C@@H]1O)C(=O)/C=C/c1ccc(O)cc1)C(=O)O
Systematic name (3)：
- (1R)-1,4α,5α-トリヒドロキシ-3β-[(E)-3-(4-ヒドロキシフェニル)-1-オキソ-2-プロペニル]シクロヘキサン-1β-カルボン酸
- (1R,3R,4S,5R)-1,3,4-トリヒドロキシ-5-[(2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノイル]シクロヘキサン-1-カルボン酸
- (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]cyclohexane-1-carboxylic acid
- (1R)-1,4α,5α-Trihydroxy-3β-[(E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]cyclohexane-1β-carboxylic acid
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