Chem
J-GLOBAL ID：200907082306703273   Nikkaji number：J1.553.308K

Vaticanol G

バチカノールG
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/c43-21-5-1-18(2-6-21)33-28-14-23(45)9-10-27(28)37-36-29(15-26(48)16-30(36)49)38(33)40-32(51)17-31(50)39-35(20-11-24(46)13-25(47)12-20)34(41(37)42(39)40)19-3-7-22(44)8-4-19/h1-17,33-35,37-38,41,43-51H/t33-,34-,35+,37-,38+,41-/m1/s1
InChI key： FWPQMKZSFDFHKZ-HPZPHKSVSA-N
SMILES： Oc1ccc(cc1)[C@H]1[C@@H]2[C@@H]3c4ccc(O)cc4[C@H]([C@H](c4cc(O)cc(O)c34)c3c2c([C@H]1c1cc(O)cc(O)c1)c(O)cc3O)c1ccc(O)cc1
Systematic name  (3)：
  • (5R,6R,11R,12R,13S,14R)-6,13-ビス(4-ヒドロキシフェニル)-14-(3,5-ジヒドロキシフェニル)-1,12-エタノ-5,11-(3,5-ジヒドロキシ-1,2-フェニレン)-5,6,11,12-テトラヒドロジベンゾ[a,e]シクロオクテン-2,4,8-トリオール
  • (1R,2R,3S,4R,10R,11R)-4-(3,5-ジヒドロキシフェニル)-3,11-ビス(4-ヒドロキシフェニル)ヘキサシクロ[8.7.6.12,5.012,17.018,23.09,24]テトラコサ-5,7,9(24),12,14,16,18,20,22-ノナエン-6,8,14,19,21-ペンタオール
  • (1R,2R,3S,4R,10R,11R)-4-(3,5-dihydroxyphenyl)-3,11-bis(4-hydroxyphenyl)hexacyclo[8.7.6.12,5.012,17.018,23.09,24]tetracosa-5,7,9(24),12,14,16,18,20,22-nonaene-6,8,14,19,21-pentol
Other name (3)：
  • (5R,6R,11R,12R,13S,14R)-6,13-Bis(4-hydroxyphenyl)-14-(3,5-dihydroxyphenyl)-1,12-ethano-5,11-(3,5-dihydroxy-1,2-phenylene)-5,6,11,12-tetrahydrodibenzo[a,e]cyclooctene-2,4,8-triol
  • バチカノールG
  • Vaticanol G
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