Chem
J-GLOBAL ID：200907083858055345   Nikkaji number：J1.197.520H

(+)-Davidiol A

(+)-ダビジオールA
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： C42H32O9
Molecular formula furigana： C42-H32-O9
Molecular weight： 680.709
InChI： InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)40-34(20-3-9-24(44)10-4-20)36-29(16-28(48)17-30(36)49)37-39-32(18-31(50)38(33)41(39)40)51-42(37)21-5-11-25(45)12-6-21/h1-18,33-35,37,40,42-50H/t33-,34+,35-,37+,40+,42-/m1/s1
InChI key： QDEHKEFWCRAFDN-HOWWATCWSA-N
SMILES： Oc1ccc(cc1)[C@H]1Oc2cc(O)c3[C@@H]([C@H]([C@@H]4[C@@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@H]1c2c34)c1cc(O)cc(O)c1)c1ccc(O)cc1
Systematic name  (3)：
  • (1S)-1β,5α,7β-トリ(4-ヒドロキシフェニル)-6β-(3,5-ジヒドロキシフェニル)-1,5,6,6aβ,7,9aβ-ヘキサヒドロ-8,9-[1,3]ブタジエノ-2-オキサ-2H-シクロヘプタ[jkl]-as-インダセン-4,11,13-トリオール
  • (1R,2S,3S,9S,10S,17S)-2-(3,5-ジヒドロキシフェニル)-3,9,17-トリス(4-ヒドロキシフェニル)-8-オキサペンタシクロ[8.7.2.04,18.07,19.011,16]ノナデカ-4,6,11,13,15,18-ヘキサエン-5,13,15-トリオール
  • (1R,2S,3S,9S,10S,17S)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4,6,11,13,15,18-hexaene-5,13,15-triol
Other name (5)：
  • (1S)-1β,5α,7β-Tri(4-hydroxyphenyl)-6β-(3,5-dihydroxyphenyl)-1,5,6,6aβ,7,9aβ-hexahydro-8,9-[1,3]butadieno-2-oxa-2H-cyclohepta[jkl]-as-indacene-4,11,13-triol
  • ダビジオールA
  • Davidiol A
  • (+)-ダビジオールA
  • (+)-Davidiol A
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