Chem
J-GLOBAL ID：200907084040581064
Nikkaji number：J813.560F
(3R)-3β,4β-Dihydroxy-5α-[3-(4-hydroxyphenyl)acryloyloxy]-1-cyclohexene-1-carboxylic acid
(3R)-3β,4β-ジヒドロキシ-5α-[3-(4-ヒドロキシフェニル)アクリロイルオキシ]-1-シクロヘキセン-1-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： C16H16O7
Molecular formula furigana： C16-H16-O7
Molecular weight： 320.297
InChI：
InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-7,12-13,15,17-18,20H,8H2,(H,21,22)/t12-,13-,15-/m1/s1
InChI key：
GVECSFFLZYNEBO-UMVBOHGHSA-N
SMILES：
O[C@@H]1C=C(C[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@@H]1O)C(=O)O
Systematic name (4)：
- (3R)-5α-[[3-(4-ヒドロキシフェニル)-1-オキソ-2-プロペニル]オキシ]-3β,4β-ジヒドロキシ-1-シクロヘキセン-1-カルボン酸
- (3R)-3β,4β-ジヒドロキシ-5α-[3-(4-ヒドロキシフェニル)アクリロイルオキシ]-1-シクロヘキセン-1-カルボン酸
- (3R,4R,5R)-3,4-ジヒドロキシ-5-{[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-1-エン-1-カルボン酸
- (3R,4R,5R)-3,4-dihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid
- (3R)-5α-[[3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]oxy]-3β,4β-dihydroxy-1-cyclohexene-1-carboxylic acid
- (3R)-3β,4β-Dihydroxy-5α-[3-(4-hydroxyphenyl)acryloyloxy]-1-cyclohexene-1-carboxylic acid
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