Chem
J-GLOBAL ID：200907022440446268   Nikkaji number：J590.215K

1,12-Diacetyltrichilin B

1,12-ジアセチルトリキリン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： C39H50O15
Molecular formula furigana： C39-H50-O15
Molecular weight： 758.814
InChI： InChI=1S/C39H50O15/c1-10-17(2)33(46)53-34-35(7)24-14-25(44)37(9)29(38(24,16-48-34)32(52-21(6)43)28(49-18(3)40)31(35)51-20(5)42)27(45)30(50-19(4)41)36(8)23(22-11-12-47-15-22)13-26-39(36,37)54-26/h11-12,15,17,23-26,28-32,34,44H,10,13-14,16H2,1-9H3/t17?,23-,24-,25+,26+,28-,29-,30-,31+,32-,34?,35+,36+,37+,38-,39+/m0/s1
InChI key： WLVLABKXPHNVTI-SFXPQGCLSA-N
SMILES： CCC(C)C(=O)OC1OC[C@]23[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(=O)C)[C@@]2(C)[C@@H](C[C@H]3O[C@@]123)c1ccoc1
Systematic name  (3)：
  • (4R,13α,17α)-4,8-ジメチル-11-オキソ-14β,15β:21,23-ジエポキシ-19,4β-(エポキシメタノ)-24-ノル-5α-コラ-20,22-ジエン-1α,2α,3α,7α,12α,26-ヘキサオール1,2,3,12-テトラアセタート26-(2-メチルブチラート)
  • (1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,19R,20R,21S)-4,19,20,21-テトラキス(アセチルオキシ)-6-(フラン-3-イル)-12-ヒドロキシ-5,11,15-トリメチル-3-オキソ-9,17-ジオキサヘキサシクロ[13.3.3.01,14.02,11.05,10.08,10]ヘンイコサン-16-イル 2-メチルブタノアート
  • (1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,19R,20R,21S)-4,19,20,21-tetrakis(acetyloxy)-6-(furan-3-yl)-12-hydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl 2-methylbutanoate
Other name (3)：
  • 1,12-ジアセチルトリキリンB
  • 1,12-Diacetyltrichilin B
  • (4R,13α,17α)-4,8-Dimethyl-11-oxo-14β,15β:21,23-diepoxy-19,4β-(epoxymethano)-24-nor-5α-chola-20,22-diene-1α,2α,3α,7α,12α,26-hexaol 1,2,3,12-tetraacetate 26-(2-methylbutyrate)
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM