Chem
J-GLOBAL ID：200907093690029012   Nikkaji number：J1.913.308G

Parameritannin A-3

パラメリタンニンA-3
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： C60H46O24
Molecular formula furigana： C60-H46-O24
Molecular weight： 1151.004
InChI： InChI=1S/C60H46O24/c61-23-13-34(71)42-38(14-23)81-59(21-3-7-27(64)32(69)11-21)57(77)49(42)45-40(83-59)18-41-46(51(45)75)50-47-39(82-60(84-41,58(50)78)22-4-8-28(65)33(70)12-22)17-36(73)44-48(52(76)54(80-56(44)47)20-2-6-26(63)31(68)10-20)43-35(72)16-29(66)24-15-37(74)53(79-55(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,37,48-50,52-54,57-58,61-78H,15H2/t37-,48+,49?,50?,52-,53-,54-,57-,58-,59-,60+/m1/s1
InChI key： LXPBTYQTPQQTQA-RLWPWXTJSA-N
SMILES： O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc3O[C@]5(Oc6cc7O[C@]8(Oc9cc(O)cc(O)c9C([C@H]8O)c7c(O)c6C([C@H]5O)c43)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Systematic name  (3)：
  • (31R,32R)-3α,9α,17β-トリス(3,4-ジヒドロキシフェニル)-15α-[2α-(3,4-ジヒドロキシフェニル)-3α,5,7-トリヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-8-イル]-3,25:9,21-ジメタノ-2,4,8,10,18-ペンタオキサヘキサシクロ[24.4.0.05,24.07,22.011,20.014,19]トリアコンタン-1(26),5,7(22),11(20),12,14(19),23,27,29-ノナエン-13,16β,23,27,29,31,32-ヘプタオール
  • (13R,19R,25S,26R,27R,31R,32R)-13,19,27-トリス(3,4-ジヒドロキシフェニル)-25-[(2R,3R)-2-(3,4-ジヒドロキシフェニル)-3,5,7-トリヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-8-イル]-12,14,18,20,28-ペンタオキサオクタシクロ[17.11.1.15,13.02,17.04,15.06,11.021,30.024,29]ドトリアコンタ-2,4(15),6,8,10,16,21(30),22,24(29)-ノナエン-3,7,9,23,26,31,32-ヘプタオール
  • (13R,19R,25S,26R,27R,31R,32R)-13,19,27-tris(3,4-dihydroxyphenyl)-25-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-12,14,18,20,28-pentaoxaoctacyclo[17.11.1.15,13.02,17.04,15.06,11.021,30.024,29]dotriaconta-2,4(15),6,8,10,16,21(30),22,24(29)-nonaene-3,7,9,23,26,31,32-heptol
Other name (5)：
  • (31R,32R)-3α,9α,17β-Tris(3,4-dihydroxyphenyl)-15α-[2α-(3,4-dihydroxyphenyl)-3α,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,25:9,21-dimethano-2,4,8,10,18-pentaoxahexacyclo[24.4.0.05,24.07,22.011,20.014,19]triacontane-1(26),5,7(22),11(20),12,14(19),23,27,29-nonene-13,16β,23,27,29,31,32-heptol
  • Parameritannin A3
  • パラメリタンニンA3
  • Parameritannin A-3
  • パラメリタンニンA-3
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