Chem
J-GLOBAL ID:200907062606802078   Nikkaji number:J1.826.358K

(6R)-1β,7β-Bis(4-hydroxyphenyl)-6α-[2-hydroxy-5-[[(2S)-2α-(4-hydroxyphenyl)-3β-(3,5-dihydroxyphenyl)-4,6-dihydroxyindan-1-ylidene]methyl]phenyl]-1,6,7,11bα-tetrahydrobenzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,8,10-triol

(6R)-1β,7β-ビス(4-ヒドロキシフェニル)-6α-[2-ヒドロキシ-5-[[(2S)-2α-(4-ヒドロキシフェニル)-3β-(3,5-ジヒドロキシフェニル)-4,6-ジヒドロキシインダン-1-イリデン]メチル]フェニル]-1,6,7,11bα-テトラヒドロベンゾ[6,7]シクロヘプタ[1,2,3-cd]ベンゾフラン-4,8,10-トリオール
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: C56H42O12
Molecular formula furigana: C56-H42-O12
Molecular weight: 906.940
InChI: InChI=1S/C56H42O12/c57-31-8-2-27(3-9-31)48-39(40-20-36(62)23-45(66)52(40)50(48)30-17-34(60)19-35(61)18-30)15-26-1-14-44(65)41(16-26)51-42-22-38(64)25-47-54(42)55(56(68-47)29-6-12-33(59)13-7-29)43-21-37(63)24-46(67)53(43)49(51)28-4-10-32(58)11-5-28/h1-25,48-51,55-67H/t48-,49+,50+,51-,55+,56+/m0/s1
InChI key: JNNFLBXAOWSQQL-DDIRNDRQSA-N
SMILES: Oc1ccc(cc1)[C@H]1Oc2cc(O)cc3[C@@H]([C@@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@@H]1c23)c1cc(C=C2[C@@H]([C@H](c3c2cc(O)cc3O)c2cc(O)cc(O)c2)c2ccc(O)cc2)ccc1O
Systematic name  (3):
  • (6R)-1β,7β-ビス(4-ヒドロキシフェニル)-6α-[2-ヒドロキシ-5-[[(2S)-2α-(4-ヒドロキシフェニル)-3β-(3,5-ジヒドロキシフェニル)-4,6-ジヒドロキシインダン-1-イリデン]メチル]フェニル]-1,6,7,11bα-テトラヒドロベンゾ[6,7]シクロヘプタ[1,2,3-cd]ベンゾフラン-4,8,10-トリオール
  • (1R,8S,9R,16S)-9-(5-{[(2S,3S)-3-(3,5-ジヒドロキシフェニル)-4,6-ジヒドロキシ-2-(4-ヒドロキシフェニル)-2,3-ジヒドロ-1H-インデン-1-イリデン]メチル}-2-ヒドロキシフェニル)-8,16-ビス(4-ヒドロキシフェニル)-15-オキサテトラシクロ[8.6.1.02,7.014,17]ヘプタデカ-2,4,6,10(17),11,13-ヘキサエン-4,6,12-トリオール
  • (1R,8S,9R,16S)-9-(5-{[(2S,3S)-3-(3,5-dihydroxyphenyl)-4,6-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ylidene]methyl}-2-hydroxyphenyl)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-4,6,12-triol
Other name (1):
  • (6R)-1β,7β-Bis(4-hydroxyphenyl)-6α-[2-hydroxy-5-[[(2S)-2α-(4-hydroxyphenyl)-3β-(3,5-dihydroxyphenyl)-4,6-dihydroxyindan-1-ylidene]methyl]phenyl]-1,6,7,11bα-tetrahydrobenzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,8,10-triol
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