Chem
J-GLOBAL ID:200907074773811826
Nikkaji number:J1.887.188B
(2R,12R)-2α-(3,4,5-Trihydroxyphenyl)-3α-(galloyloxy)-5,8,9-trihydroxy-12-[(S)-1,2-dihydroxyethyl]-8,9-(methanoxymethano)-3,4,8,9-tetrahydro-2H-furo[2,3-h]-1-benzopyran-10-one
(2R,12R)-2α-(3,4,5-トリヒドロキシフェニル)-3α-(ガロイルオキシ)-5,8,9-トリヒドロキシ-12-[(S)-1,2-ジヒドロキシエチル]-8,9-(メタノキシメタノ)-3,4,8,9-テトラヒドロ-2H-フロ[2,3-h]-1-ベンゾピラン-10-オン
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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:
C28 H24 O17
Molecular formula furigana:
C28-H24-O17
Molecular weight:
632.483
InChI:
InChI=1S/C28H24O17/c29-7-16(35)24-28(41)27(40,26(39)44-24)19-17(45-28)6-11(30)10-5-18(42-25(38)9-3-14(33)21(37)15(34)4-9)22(43-23(10)19)8-1-12(31)20(36)13(32)2-8/h1-4,6,16,18,22,24,29-37,40-41H,5,7H2/t16-,18+,22+,24+,27?,28?/m0/s1
InChI key:
DKFWYWRZDCPNOB-CXBNSELASA-N
SMILES:
OC[C@H](O)[C@H]1OC(=O)C2(O)c3c(OC12O)cc(O)c1C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](Oc31)c1cc(O)c(O)c(O)c1
Systematic name (4):
(2R,12R)-2α-(3,4,5-トリヒドロキシフェニル)-3α-(ガロイルオキシ)-5,8,9-トリヒドロキシ-12-[(S)-1,2-ジヒドロキシエチル]-8,9-(メタノキシメタノ)-3,4,8,9-テトラヒドロ-2H-フロ[2,3-h]-1-ベンゾピラン-10-オン
3,4,5-トリヒドロキシ安息香酸2α-(3,4,5-トリヒドロキシフェニル)-8β-[(S)-1,2-ジヒドロキシエチル]-5,7a,10a-トリヒドロキシ-10-オキソ-3,4,7a,8,10,10a-ヘキサヒドロ-2H-フロ[3′,4′:4,5]フロ[2,3-h][1]ベンゾピラン-3α-イル
(4R,5R,13R)-13-[(1S)-1,2-ジヒドロキシエチル]-8,12,16-トリヒドロキシ-15-オキソ-4-(3,4,5-トリヒドロキシフェニル)-3,11,14-トリオキサテトラシクロ[8.6.0.02,7 .012,16 ]ヘキサデカ-1(10),2(7),8-トリエン-5-イル 3,4,5-トリヒドロキシベンゾアート
(4R,5R,13R)-13-[(1S)-1,2-dihydroxyethyl]-8,12,16-trihydroxy-15-oxo-4-(3,4,5-trihydroxyphenyl)-3,11,14-trioxatetracyclo[8.6.0.02,7 .012,16 ]hexadeca-1(10),2(7),8-trien-5-yl 3,4,5-trihydroxybenzoate
Other name (2):
(2R,12R)-2α-(3,4,5-Trihydroxyphenyl)-3α-(galloyloxy)-5,8,9-trihydroxy-12-[(S)-1,2-dihydroxyethyl]-8,9-(methanoxymethano)-3,4,8,9-tetrahydro-2H-furo[2,3-h]-1-benzopyran-10-one
3,4,5-Trihydroxybenzoic acid 2α-(3,4,5-trihydroxyphenyl)-8β-[(S)-1,2-dihydroxyethyl]-5,7a,10a-trihydroxy-10-oxo-3,4,7a,8,10,10a-hexahydro-2H-furo[3′,4′:4,5]furo[2,3-h][1]benzopyran-3α-yl ester
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