Chem
J-GLOBAL ID：200907026201130351   Nikkaji number：J1.318.092J

Davidiol C

ダビジオールC
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)52-44(29-17-34(61)19-35(62)18-29)51-43(67-52)24-40-48-45-38(20-36(63)22-41(45)66-54(48)27-5-13-32(59)14-6-27)47-46-39(49-50(40)56(51)68-55(49)28-7-15-33(60)16-8-28)21-37(64)23-42(46)65-53(47)26-3-11-31(58)12-4-26/h1-24,44,47-49,52-55,57-64H/t44-,47-,48+,49+,52+,53+,54-,55-/m0/s1
InChI key： RKUIZKULTFDMTQ-ODUAFKBWSA-N
SMILES： Oc1ccc(cc1)[C@H]1Oc2cc3[C@H]4[C@@H](Oc5cc(O)cc([C@@H]6[C@H](Oc7cc(O)cc([C@H]8[C@@H](Oc(c2[C@@H]1c1cc(O)cc(O)c1)c38)c1ccc(O)cc1)c67)c1ccc(O)cc1)c45)c1ccc(O)cc1
Systematic name  (3)：
  • (2R,3R,7S,8S)-3,4-[(2S,2′R,3S,3′R)-2,2′,3,3′-テトラヒドロ-2,2′-ビス(4-ヒドロキシフェニル)-6,6′-ジヒドロキシ-3,4′-ビベンゾフラン-4,3′-ジイル]-2,3,7,8-テトラヒドロ-2,7-ビス(4-ヒドロキシフェニル)-8-(3,5-ジヒドロキシフェニル)ベンゾ[1,2-b:3,4-b′]ジフラン
  • (2R,3R,10S,11S,18R,19R,23S,24S)-23-(3,5-ジヒドロキシフェニル)-3,11,19,24-テトラキス(4-ヒドロキシフェニル)-4,12,20,25-テトラオキサオクタシクロ[16.9.1.12,5.110,13.021,28.022,26.09,30.017,29]トリアコンタ-1(28),5,7,9(30),13,15,17(29),21,26-ノナエン-7,15-ジオール
  • (2R,3R,10S,11S,18R,19R,23S,24S)-23-(3,5-dihydroxyphenyl)-3,11,19,24-tetrakis(4-hydroxyphenyl)-4,12,20,25-tetraoxaoctacyclo[16.9.1.12,5.110,13.021,28.022,26.09,30.017,29]triaconta-1(28),5,7,9(30),13,15,17(29),21,26-nonaene-7,15-diol
Other name (3)：
  • (2R,3R,7S,8S)-3,4-[(2S,2′R,3S,3′R)-2,2′,3,3′-Tetrahydro-2,2′-bis(4-hydroxyphenyl)-6,6′-dihydroxy-3,4′-bibenzofuran-4,3′-diyl]-2,3,7,8-tetrahydro-2,7-bis(4-hydroxyphenyl)-8-(3,5-dihydroxyphenyl)benzo[1,2-b:3,4-b′]difuran
  • ダビジオールC
  • Davidiol C
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