Chem
J-GLOBAL ID：200907072041329182   Nikkaji number：J1.879.498E

(2S,3R,6S,7R,9S,10R,12S,13R,15S,16R,18S,19R)-1-(Trifluoromethylsulfonyloxy)-3-(trimethylsiloxy)-3,19-dimethyl-18,21-bis(benzyloxy)-2,7:6,10:9,13:12,16:15,19-pentaepoxyhenicosane

(2S,3R,6S,7R,9S,10R,12S,13R,15S,16R,18S,19R)-1-(トリフルオロメチルスルホニルオキシ)-3-(トリメチルシロキシ)-3,19-ジメチル-18,21-ビス(ベンジルオキシ)-2,7:6,10:9,13:12,16:15,19-ペンタエポキシヘニコサン
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： C41H57F3O11SSi
Molecular formula furigana： C41-H57-F3-O11-S-SI
Molecular weight： 843.040
InChI： InChI=1S/C41H57F3O11SSi/c1-39(18-19-47-24-27-12-8-6-9-13-27)37(48-25-28-14-10-7-11-15-28)23-35-36(54-39)22-34-33(52-35)21-31-32(51-34)20-30-29(50-31)16-17-40(2,55-57(3,4)5)38(53-30)26-49-56(45,46)41(42,43)44/h6-15,29-38H,16-26H2,1-5H3/t29-,30+,31+,32-,33-,34+,35+,36-,37-,38-,39+,40+/m0/s1
InChI key： KIFLTGXIFPIERR-FRLSBKJASA-N
SMILES： C[C@]1(CCOCc2ccccc2)O[C@H]2C[C@H]3O[C@H]4C[C@H]5O[C@@H](COS(=O)(=O)C(F)(F)F)[C@@](C)(CC[C@@H]5O[C@@H]4C[C@@H]3O[C@@H]2C[C@@H]1OCc1ccccc1)O[Si](C)(C)C
Systematic name  (3)：
  • (2S,3R,6S,7R,9S,10R,12S,13R,15S,16R,18S,19R)-1-(トリフルオロメチルスルホニルオキシ)-3-(トリメチルシロキシ)-3,19-ジメチル-18,21-ビス(ベンジルオキシ)-2,7:6,10:9,13:12,16:15,19-ペンタエポキシヘニコサン
  • [(1S,3R,5S,7R,8S,10R,12S,14R,16S,19R,20S,22R)-8-(ベンジルオキシ)-7-[2-(ベンジルオキシ)エチル]-7,19-ジメチル-19-[(トリメチルシリル)オキシ]-2,6,11,15,21-ペンタオキサペンタシクロ[12.9.0.03,12.05,10.016,22]トリコサン-20-イル]メチル トリフルオロメタンスルホナート
  • [(1S,3R,5S,7R,8S,10R,12S,14R,16S,19R,20S,22R)-8-(benzyloxy)-7-[2-(benzyloxy)ethyl]-7,19-dimethyl-19-[(trimethylsilyl)oxy]-2,6,11,15,21-pentaoxapentacyclo[12.9.0.03,12.05,10.016,22]tricosan-20-yl]methyl trifluoromethanesulfonate
Other name (1)：
  • (2S,3R,6S,7R,9S,10R,12S,13R,15S,16R,18S,19R)-1-(Trifluoromethylsulfonyloxy)-3-(trimethylsiloxy)-3,19-dimethyl-18,21-bis(benzyloxy)-2,7:6,10:9,13:12,16:15,19-pentaepoxyhenicosane
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