Chem
J-GLOBAL ID：200907012079616310   Nikkaji number：J1.935.840B

Gransrin B

グランスリン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： C40H26O25
Molecular formula furigana： C40-H26-O25
Molecular weight： 906.623
InChI： InChI=1S/C40H26O25/c41-11-1-7-18(26(50)22(11)46)19-8(2-12(42)23(47)27(19)51)39(57)65-35-34(64-38(7)56)32-17(61-40(35)58)6-59-36(54)10-4-15(45)30-33(60-16-5-14(44)25(49)29(53)31(16)62-30)21(10)20-9(37(55)63-32)3-13(43)24(48)28(20)52/h1-5,17,32,34-35,40-53,58H,6H2/t17-,32-,34+,35-,40?/m1/s1
InChI key： KTDJGCWDXFLJQJ-HTHYLEGLSA-N
SMILES： OC1O[C@@H]2COC(=O)c3cc(O)c4Oc5c(O)c(O)c(O)cc5Oc4c3c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12
Systematic name  (3)：
  • 2-O,3-O-(2,2′,3,3′,4,4′-ヘキサヒドロキシビフェニル-6,6′-ジイルビスカルボニル)-4-O,6-O-[2,3,4,4′-テトラヒドロキシ-2′,3′-(3,4,5-トリヒドロキシ-1,2-フェニレンビスオキシ)ビフェニル-6,6′-ジイルビスカルボニル]-D-グルコピラノース
  • (1R,27R,30R,47S)-6,7,8,15,16,17,21,29,35,36,37,40,41,42-テトラデカヒドロキシ-2,12,19,25,28,31,46-ヘプタオキサノナシクロ[25.20.0.04,9.010,23.011,20.013,18.030,47.033,38.039,44]ヘプタテトラコンタ-4,6,8,10,13,15,17,20,22,33,35,37,39,41,43-ペンタデカエン-3,24,32,45-テトラオン
  • (1R,27R,30R,47S)-6,7,8,15,16,17,21,29,35,36,37,40,41,42-tetradecahydroxy-2,12,19,25,28,31,46-heptaoxanonacyclo[25.20.0.04,9.010,23.011,20.013,18.030,47.033,38.039,44]heptatetraconta-4,6,8,10,13,15,17,20,22,33,35,37,39,41,43-pentadecaene-3,24,32,45-tetrone
Other name (3)：
  • 2-O,3-O-(2,2′,3,3′,4,4′-Hexahydroxybiphenyl-6,6′-diylbiscarbonyl)-4-O,6-O-[2,3,4,4′-tetrahydroxy-2′,3′-(3,4,5-trihydroxy-1,2-phenylenebisoxy)biphenyl-6,6′-diylbiscarbonyl]-D-glucopyranose
  • グランスリンB
  • Gransrin B
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