Chem
J-GLOBAL ID:200907032887617030
Nikkaji number:J806.181E
11-O-Protocatechuoylbergenin
11-O-プロトカテクオイルベルゲニン
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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:
C21 H20 O12
Molecular formula furigana:
C21-H20-O12
Molecular weight:
464.379
InChI:
InChI=1S/C21H20O12/c1-30-17-11(24)5-8-13(15(17)26)18-19(33-21(8)29)16(27)14(25)12(32-18)6-31-20(28)7-2-3-9(22)10(23)4-7/h2-5,12,14,16,18-19,22-27H,6H2,1H3/t12-,14-,16+,18+,19-/m1/s1
InChI key:
MFNRPVDJVZFOAE-IONYDWJHSA-N
SMILES:
COc1c(O)cc2C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](COC(=O)c4ccc(O)c(O)c4)O[C@H]3c2c1O
Systematic name (5):
3,4-ジヒドロキシ安息香酸[(3β,4α,8,10-テトラヒドロキシ-6-オキソ-9-メトキシ-2,3,4,4aα,6,10bβ-ヘキサヒドロピラノ[3,2-c][2]ベンゾピラン)-2α-イル]メチル
(2R)-3,4,4aα,10bβ-テトラヒドロ-3β,4α,8,10-テトラヒドロキシ-2α-[(3,4-ジヒドロキシベンゾイルオキシ)メチル]-9-メトキシピラノ[3,2-c][2]ベンゾピラン-6(2H)-オン
(2R)-2α-(3,4-ジヒドロキシベンゾイルオキシメチル)-3β,4α,8,10-テトラヒドロキシ-9-メトキシ-2,3,4,4aα,6,10bβ-ヘキサヒドロピラノ[3,2-c][2]ベンゾピラン-6-オン
[(2S,4R,5S,6S,7R)-5,6,12,14-テトラヒドロキシ-13-メトキシ-9-オキソ-3,8-ジオキサトリシクロ[8.4.0.02,7 ]テトラデカ-1(14),10,12-トリエン-4-イル]メチル 3,4-ジヒドロキシベンゾアート
[(2S,4R,5S,6S,7R)-5,6,12,14-tetrahydroxy-13-methoxy-9-oxo-3,8-dioxatricyclo[8.4.0.02,7 ]tetradeca-1(14),10,12-trien-4-yl]methyl 3,4-dihydroxybenzoate
Other name (5):
3,4-Dihydroxybenzoic acid [(3β,4α,8,10-tetrahydroxy-6-oxo-9-methoxy-2,3,4,4aα,6,10bβ-hexahydropyrano[3,2-c][2]benzopyran)-2α-yl]methyl ester
(2R)-3,4,4aα,10bβ-Tetrahydro-3β,4α,8,10-tetrahydroxy-2α-[(3,4-dihydroxybenzoyloxy)methyl]-9-methoxypyrano[3,2-c][2]benzopyran-6(2H)-one
11-O-プロトカテクオイルベルゲニン
11-O-Protocatechuoylbergenin
(2R)-2α-(3,4-Dihydroxybenzoyloxymethyl)-3β,4α,8,10-tetrahydroxy-9-methoxy-2,3,4,4aα,6,10bβ-hexahydropyrano[3,2-c][2]benzopyran-6-one
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