Chem
J-GLOBAL ID:200907003690853107
Nikkaji number:J354.360I
Cynarin
シナリン
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Substance type:
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
Molecular formula:
C25 H24 O12
Molecular formula furigana:
C25-H24-O12
Molecular weight:
516.455
InChI:
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/t19-,20-,23+,25-/m1/s1
InChI key:
YDDUMTOHNYZQPO-GCBRTHAASA-N
SMILES:
O[C@@H]1C[C@](C[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@H]1O)(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O
Systematic name (6):
(1R)-1β,3β-ビス[[3-(3,4-ジヒドロキシフェニル)-1-オキソ-2-プロペニル]オキシ]-4β,5α-ジヒドロキシシクロヘキサンカルボン酸
1β,3β-ビス[3-(3,4-ジヒドロキシフェニル)プロペノイルオキシ]-4β,5α-ジヒドロキシシクロヘキサンカルボン酸
(1R)-1,5α-ビス[3-(3,4-ジヒドロキシフェニル)アクリロイルオキシ]-3β,4α-ジヒドロキシシクロヘキサン-1β-カルボン酸
(1R)-1,5α-ビス[3-(3,4-ジヒドロキシフェニル)アクリロイルオキシ]-4α,3β-ジヒドロキシシクロヘキサン-1β-カルボン酸
(1R,3R,4S,5R)-1,3-ビス({[3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]オキシ})-4,5-ジヒドロキシシクロヘキサン-1-カルボン酸
(1R,3R,4S,5R)-1,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid
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Other name (9):
(1R)-1β,3β-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4β,5α-dihydroxycyclohexanecarboxylic acid
シナリン
Cynarin
1β,3β-Bis[3-(3,4-dihydroxyphenyl)propenoyloxy]-4β,5α-dihydroxycyclohexanecarboxylic acid
1,3-O-ジカフェオイルキナ酸
1,3-O-Dicaffeoylquinic acid
(1R)-1,5α-Bis[3-(3,4-dihydroxyphenyl)acryloyloxy]-3β,4α-dihydroxycyclohexane-1β-carboxylic acid
1,3-Dicaffeoylquinic acid
(1R)-1,5α-Bis[3-(3,4-dihydroxyphenyl)acryloyloxy]-4α,3β-dihydroxycyclohexane-1β-carboxylic acid
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CAS registry number:
30964-13-7
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