Chem
J-GLOBAL ID：200907059284363030
Nikkaji number：J1.515.674K
(αS,2S)-α-Hydroxy-3α,4β-bis(galloyloxy)-5-oxotetrahydrofuran-2β-acetic acid
(αS,2S)-α-ヒドロキシ-3α,4β-ビス(ガロイルオキシ)-5-オキソテトラヒドロフラン-2β-酢酸
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： C20H16O15
Molecular formula furigana： C20-H16-O15
Molecular weight： 496.333
InChI：
InChI=1S/C20H16O15/c21-7-1-5(2-8(22)11(7)25)18(30)34-15-14(13(27)17(28)29)33-20(32)16(15)35-19(31)6-3-9(23)12(26)10(24)4-6/h1-4,13-16,21-27H,(H,28,29)/t13-,14-,15-,16+/m0/s1
InChI key：
LCHNXIPEUGWYTL-YHUYYLMFSA-N
SMILES：
O[C@@H]([C@@H]1OC(=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O
Systematic name (3)：
- (αS,2S)-α-ヒドロキシ-3α,4β-ビス(ガロイルオキシ)-5-オキソテトラヒドロフラン-2β-酢酸
- (2S)-2-ヒドロキシ-2-[(2S,3S,4R)-5-オキソ-3,4-ビス(3,4,5-トリヒドロキシベンゾイルオキシ)オキソラン-2-イル]酢酸
- (2S)-2-hydroxy-2-[(2S,3S,4R)-5-oxo-3,4-bis(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid
- (αS,2S)-α-Hydroxy-3α,4β-bis(galloyloxy)-5-oxotetrahydrofuran-2β-acetic acid
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