Chem
J-GLOBAL ID：200907091997127884
Nikkaji number：J1.230.277K
1α,3α,5β-Trihydroxy-4α-[[3-(4-hydroxyphenyl)propenoyl]oxy]cyclohexanecarboxylic acid
1α,3α,5β-トリヒドロキシ-4α-[[3-(4-ヒドロキシフェニル)プロペノイル]オキシ]シクロヘキサンカルボン酸
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： C16H18O8
Molecular formula furigana： C16-H18-O8
Molecular weight： 338.312
InChI：
InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/t11-,12-,14?,16-/m0/s1
InChI key：
XWRHBGVVCOSNKO-DMRBSKKMSA-N
SMILES：
O[C@H]1C[C@](O)(C[C@H](O)C1OC(=O)C=Cc1ccc(O)cc1)C(=O)O
Systematic name (4)：
- (3S,5S)-1α,3α,5β-トリヒドロキシ-4α-[3-(4-ヒドロキシフェニル)プロペノイルオキシ]シクロヘキサンカルボン酸
- 1α,3α,5β-トリヒドロキシ-4α-[[3-(4-ヒドロキシフェニル)プロペノイル]オキシ]シクロヘキサンカルボン酸
- (3S,5S)-1,3,5-トリヒドロキシ-4-{[3-(4-ヒドロキシフェニル)プロパ-2-エノイル]オキシ}シクロヘキサン-1-カルボン酸
- (3S,5S)-1,3,5-trihydroxy-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
- (3S,5S)-1α,3α,5β-Trihydroxy-4α-[3-(4-hydroxyphenyl)propenoyloxy]cyclohexanecarboxylic acid
- 1α,3α,5β-Trihydroxy-4α-[[3-(4-hydroxyphenyl)propenoyl]oxy]cyclohexanecarboxylic acid
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