Chem
J-GLOBAL ID：200907097715657396   Nikkaji number：J874.015A

(-)-Isohopeaphenol

(-)-イソホペアフェノール
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/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H/t45-,46-,51+,52+,53?,54?,55-,56-/m1/s1
InChI key： YQQUILZPDYJDQJ-VEJLVWRBSA-N
SMILES： Oc1ccc(cc1)[C@H]1Oc2cc(O)cc3[C@H]([C@@H]4[C@H](c5ccc(O)cc5)c5c(O)cc(O)cc5C5[C@H](Oc6cc(O)cc4c56)c4ccc(O)cc4)[C@H](c4ccc(O)cc4)c4c(O)cc(O)cc4C1c23
Systematic name  (3)：
  • (1S,1′S,6R,6′R,7R,7′R)-1,1′,6,6′,7,7′,11b,11b′-オクタヒドロ-1,1′,7,7′-テトラキス(4-ヒドロキシフェニル)-6,6′-ビ[ベンゾ[6,7]シクロヘプタ[1,2,3-cd]ベンゾフラン]-4,4′,8,8′,10,10′-ヘキサオール
  • (8R,9R,16S)-8,16-ビス(4-ヒドロキシフェニル)-9-[(8R,9R,16S)-4,6,12-トリヒドロキシ-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-9-イル]-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
  • (8R,9R,16S)-8,16-bis(4-hydroxyphenyl)-9-[(8R,9R,16S)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-4,6,12-triol
Other name (3)：
  • (-)-イソホペアフェノール
  • (-)-Isohopeaphenol
  • (1S,1′S,6R,6′R,7R,7′R)-1,1′,6,6′,7,7′,11b,11b′-Octahydro-1,1′,7,7′-tetrakis(4-hydroxyphenyl)-6,6′-bi[benzo[6,7]cyclohepta[1,2,3-cd]benzofuran]-4,4′,8,8′,10,10′-hexol
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