Chem
J-GLOBAL ID：200907057867394291   Nikkaji number：J1.879.289C

(2S,3R,5S,6R,9S,10R,12S,13R,15S,16R,18S,19R,21S,22R)-2,6,22-Trimethyl-21,24-bis(benzyloxy)-2,6:5,10:9,13:12,16:15,19:18,22-hexaepoxytetracosane-1,3-diol

(2S,3R,5S,6R,9S,10R,12S,13R,15S,16R,18S,19R,21S,22R)-2,6,22-トリメチル-21,24-ビス(ベンジルオキシ)-2,6:5,10:9,13:12,16:15,19:18,22-ヘキサエポキシテトラコサン-1,3-ジオール
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： C41H56O10
Molecular formula furigana： C41-H56-O10
Molecular weight： 708.889
InChI： InChI=1S/C41H56O10/c1-39(16-17-44-23-26-10-6-4-7-11-26)37(45-24-27-12-8-5-9-13-27)21-34-35(50-39)20-33-32(48-34)19-30-31(47-33)18-29-28(46-30)14-15-40(2)38(49-29)22-36(43)41(3,25-42)51-40/h4-13,28-38,42-43H,14-25H2,1-3H3/t28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41-/m0/s1
InChI key： AFOZZLBNHUASGK-DWCQZNKPSA-N
SMILES： C[C@@]1(CO)O[C@]2(C)CC[C@@H]3O[C@@H]4C[C@@H]5O[C@@H]6C[C@H](OCc7ccccc7)[C@@](C)(CCOCc7ccccc7)O[C@H]6C[C@H]5O[C@H]4C[C@H]3O[C@H]2C[C@H]1O
Systematic name  (5)：
  • (3R,4S,6R,7S,9R,10S,12R,13S,15R,16S,19R,20S,22R,23S)-1,4-ビス(ベンジルオキシ)-3,7:6,10:9,13:12,16:15,20:19,23-ヘキサエポキシ-3,19,23-トリメチルテトラコサン-22,24-ジオール
  • (2S,3R,5S,6R,9S,10R,12S,13R,15S,16R,18S,19R,21S,22R)-2,6,22-トリメチル-21,24-ビス(ベンジルオキシ)-2,6:5,10:9,13:12,16:15,19:18,22-ヘキサエポキシテトラコサン-1,3-ジオール
  • (2S,3R,5S,6R,9S,10R,12S,13R,15S,16R,18S,19R,21S,22R)-2,6:5,10:9,13:12,16:15,19:18,22-ヘキサエポキシ-2,6,22-トリメチル-21,24-ビス(ベンジルオキシ)テトラコサン-1,3-ジオール
  • (1S,3R,5S,7R,8S,10R,13S,15R,17S,19R,21S,22R,24S,26R)-21-(ベンジルオキシ)-22-[2-(ベンジルオキシ)エチル]-8-(ヒドロキシメチル)-8,10,22-トリメチル-4,9,14,18,23,27-ヘキサオキサヘキサシクロ[13.12.0.03,13.05,10.017,26.019,24]ヘプタコサン-7-オール
  • (1S,3R,5S,7R,8S,10R,13S,15R,17S,19R,21S,22R,24S,26R)-21-(benzyloxy)-22-[2-(benzyloxy)ethyl]-8-(hydroxymethyl)-8,10,22-trimethyl-4,9,14,18,23,27-hexaoxahexacyclo[13.12.0.03,13.05,10.017,26.019,24]heptacosan-7-ol
Other name (3)：
  • (3R,4S,6R,7S,9R,10S,12R,13S,15R,16S,19R,20S,22R,23S)-1,4-Bis(benzyloxy)-3,7:6,10:9,13:12,16:15,20:19,23-hexaepoxy-3,19,23-trimethyltetracosane-22,24-diol
  • (2S,3R,5S,6R,9S,10R,12S,13R,15S,16R,18S,19R,21S,22R)-2,6,22-Trimethyl-21,24-bis(benzyloxy)-2,6:5,10:9,13:12,16:15,19:18,22-hexaepoxytetracosane-1,3-diol
  • (2S,3R,5S,6R,9S,10R,12S,13R,15S,16R,18S,19R,21S,22R)-2,6:5,10:9,13:12,16:15,19:18,22-Hexaepoxy-2,6,22-trimethyl-21,24-bis(benzyloxy)tetracosane-1,3-diol
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