Chem
J-GLOBAL ID：200907076235643770
Nikkaji number：J554.238C
1α,4α,5α-Tris(galloyloxy)-3β-hydroxycyclohexanecarboxylic acid
1α,4α,5α-トリス(ガロイルオキシ)-3β-ヒドロ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： C28H24O18
Molecular formula furigana： C28-H24-O18
Molecular weight： 648.482
InChI：
InChI=1S/C28H24O18/c29-12-1-9(2-13(30)20(12)36)24(39)44-19-8-28(27(42)43,46-26(41)11-5-16(33)22(38)17(34)6-11)7-18(35)23(19)45-25(40)10-3-14(31)21(37)15(32)4-10/h1-6,18-19,23,29-38H,7-8H2,(H,42,43)/t18-,19-,23+,28-/m1/s1
InChI key：
MFFWGSMFANTCDY-UVLHBTOWSA-N
SMILES：
O[C@@H]1C[C@](C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)(OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O
Systematic name (4)：
- 1α,4α,5α-トリス(ガロイルオキシ)-3β-ヒドロキシシクロヘキサンカルボン酸
- (1R)-1,3β,4β-トリス(ガロイルオキシ)-5α-ヒドロキシシクロヘキサン-1α-カルボン酸
- (1R,3R,4S,5R)-3-ヒドロキシ-1,4,5-トリス(3,4,5-トリヒドロキシベンゾイルオキシ)シクロヘキサン-1-カルボン酸
- (1R,3R,4S,5R)-3-hydroxy-1,4,5-tris(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid
- 1α,4α,5α-Tris(galloyloxy)-3β-hydroxycyclohexanecarboxylic acid
- (1R)-1,3β,4β-Tris(galloyloxy)-5α-hydroxycyclohexane-1α-carboxylic acid
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