Chem
J-GLOBAL ID：200907072889127342   Nikkaji number：J389.828H

Castalagin

カスタラギン
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： C41H26O26
Molecular formula furigana： C41-H26-O26
Molecular weight： 934.633
InChI： InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2/t11-,31+,34-,35+,36+/m1/s1
InChI key： UDYKDZHZAKSYCO-CIBWSTISSA-N
SMILES： O[C@@H]1[C@@H]2OC(=O)c3c1c(O)c(O)c(O)c3c1c(O)c(O)c(O)c3c4c(O)c(O)c(O)cc4C(=O)O[C@@H]4COC(=O)c5cc(O)c(O)c(O)c5c5c(O)c(O)c(O)cc5C(=O)O[C@H]4[C@@H]2OC(=O)c13
Systematic name  (3)：
  • (33S)-ベスカラギン
  • (1R,2R,20R,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-ヘキサデカヒドロキシ-3,18,21,41,43-ペンタオキサノナシクロ[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]ヘキサテトラコンタ-5,7,9,11,13,15,23,25,27,29(45),30,32,34,36,38-ペンタデカエン-4,17,22,40,44-ペンタオン
  • (1R,2R,20R,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34,36,38-pentadecaene-4,17,22,40,44-pentone
Other name (3)：
  • Castalagin
  • カスタラギン
  • (33S)-Vescalagin
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM