Chem
J-GLOBAL ID：200907069035708154   Nikkaji number：J546.953H

Miyabenol B

ミヤベノールB
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： C56H40O12
Molecular formula furigana： C56-H40-O12
Molecular weight： 904.924
InChI： InChI=1S/C56H40O12/c57-30-9-1-25(2-10-30)53-44(29-17-34(61)19-35(62)18-29)49-42(67-53)24-43-50-48(55(68-43)27-5-13-32(59)14-6-27)38-20-36(63)22-40-45(38)47(54(65-40)26-3-11-31(58)12-4-26)39-21-37(64)23-41-46(39)52(51(49)50)56(66-41)28-7-15-33(60)16-8-28/h1-24,44,47-48,52-64H/t44-,47-,48-,52-,53+,54+,55+,56-/m1/s1
InChI key： RIMCHRWCAPTIIA-FSIKBHIHSA-N
SMILES： Oc1ccc(cc1)[C@@H]1Oc2cc3O[C@H]([C@H]4c3c([C@@H]3[C@H](Oc5cc(O)cc([C@H]6[C@@H](Oc7cc(O)cc4c67)c4ccc(O)cc4)c35)c3ccc(O)cc3)c2[C@H]1c1cc(O)cc(O)c1)c1ccc(O)cc1
Systematic name  (3)：
  • (1R,5bR,6R,10R,11R,11cS,12S,16bR)-1,6,10,12-テトラキス(4-ヒドロキシフェニル)-11-(3,5-ジヒドロキシフェニル)-1,5b,6,10,11,11c,12,16b-オクタヒドロフロ[3,2-f]シクロノナ[1,2,3-cd:4,5,6-c′d′:7,8,9-c′′d′′]トリスベンゾフラン-4,15-ジオール
  • (2S,3S,10R,11R,18R,19R,25R,26R)-26-(3,5-ジヒドロキシフェニル)-3,11,19,25-テトラキス(4-ヒドロキシフェニル)-4,12,20,24-テトラオキサオクタシクロ[16.9.1.12,5.110,13.021,28.023,27.09,30.017,29]トリアコンタ-1(27),5,7,9(30),13,15,17(29),21(28),22-ノナエン-7,15-ジオール
  • (2S,3S,10R,11R,18R,19R,25R,26R)-26-(3,5-dihydroxyphenyl)-3,11,19,25-tetrakis(4-hydroxyphenyl)-4,12,20,24-tetraoxaoctacyclo[16.9.1.12,5.110,13.021,28.023,27.09,30.017,29]triaconta-1(27),5,7,9(30),13,15,17(29),21(28),22-nonaene-7,15-diol
Other name (3)：
  • ミヤベノールB
  • Miyabenol B
  • (1R,5bR,6R,10R,11R,11cS,12S,16bR)-1,6,10,12-Tetrakis(4-hydroxyphenyl)-11-(3,5-dihydroxyphenyl)-1,5b,6,10,11,11c,12,16b-octahydrofuro[3,2-f]cyclonona[1,2,3-cd:4,5,6-c′d′:7,8,9-c′′d′′]trisbenzofuran-4,15-diol
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM