Chem
J-GLOBAL ID:200907098949302407
Nikkaji number:J2.772.068D
Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol
ロビネチニドール-(4α→8)-カテキン-(6→4α)-ロビネチニドール
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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:
C45 H38 O18
Molecular formula furigana:
C45-H38-O18
Molecular weight:
866.781
InChI:
InChI=1S/C45H38O18/c46-18-2-4-20-30(12-18)61-43(16-8-25(50)37(56)26(51)9-16)40(59)32(20)34-36(55)22-14-29(54)42(15-1-6-23(48)24(49)7-15)63-45(22)35(39(34)58)33-21-5-3-19(47)13-31(21)62-44(41(33)60)17-10-27(52)38(57)28(53)11-17/h1-13,29,32-33,40-44,46-60H,14H2/t29-,32-,33-,40-,41-,42+,43+,44+/m0/s1
InChI key:
QZNRDKYJASOYMZ-BLBVDZAISA-N
SMILES:
O[C@H]1Cc2c(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)ccc34)c3cc(O)c(O)c(O)c3)c(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)ccc34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Systematic name (3):
(2R,2′R,2′′R,3S,3′S,3′′S,4S,4′′S)-2′-(3,4-ジヒドロキシフェニル)-3,3′,3′′,4,4′,4′′-ヘキサヒドロ-2,2′′-ビス(3,4,5-トリヒドロキシフェニル)-4,6′:8′,4′′-テル[2H-1-ベンゾピラン]3,3′,3′′,5′,7,7′,7′′-ヘプタオール
(2R,3S)-6,8-ビス[(2R,3S,4S)-3,7-ジヒドロキシ-2-(3,4,5-トリヒドロキシフェニル)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-2-(3,4-ジヒドロキシフェニル)-3,4-ジヒドロ-2H-1-ベンゾピラン-3,5,7-トリオール
(2R,3S)-6,8-bis[(2R,3S,4S)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Other name (3):
(2R,2′R,2′′R,3S,3′S,3′′S,4S,4′′S)-2′-(3,4-Dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-2,2′′-bis(3,4,5-trihydroxyphenyl)-4,6′:8′,4′′-ter[2H-1-benzopyran]3,3′,3′′,5′,7,7′,7′′-heptaol
Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol
ロビネチニドール-(4α→8)-カテキン-(6→4α)-ロビネチニドール
CAS registry number:
85820-29-7
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