Chem
J-GLOBAL ID：200907045525435036   Nikkaji number：J1.879.499C

(2R,3S,5S,6R,9S,10R,12S,13R,15S,16R,18S,19R,21S,22R)-1-(tert-Butyldiphenylsiloxy)-2,6,22-trimethyl-3-(4-methylphenylsulfonyl)-6-(trimethylsiloxy)-21,24-bis(benzyloxy)-2,3:5,10:9,13:12,16:15,19:18,22-hexaepoxytetracosane

(2R,3S,5S,6R,9S,10R,12S,13R,15S,16R,18S,19R,21S,22R)-1-(tert-ブチルジフェニルシロキシ)-2,6,22-トリメチル-3-(4-メチルフェニルスルホニル)-6-(トリメチルシロキシ)-21,24-ビス(ベンジルオキシ)-2,3:5,10:9,13:12,16:15,19:18,22-ヘキサエポキシテトラコサン
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： C67H88O12SSi2
Molecular formula furigana： C67-H88-O12-S-SI2
Molecular weight： 1173.660
InChI： InChI=1S/C67H88O12SSi2/c1-47-31-33-50(34-32-47)80(68,69)67(66(7,78-67)46-72-82(63(2,3)4,51-27-19-13-20-28-51)52-29-21-14-22-30-52)43-62-65(6,79-81(8,9)10)36-35-53-54(76-62)39-56-55(73-53)40-57-58(74-56)41-60-59(75-57)42-61(71-45-49-25-17-12-18-26-49)64(5,77-60)37-38-70-44-48-23-15-11-16-24-48/h11-34,53-62H,35-46H2,1-10H3/t53-,54+,55+,56-,57-,58+,59+,60-,61-,62-,64+,65+,66+,67-/m0/s1
InChI key： AQXMLKNCATUCDH-VIFKJDCUSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)[C@]1(C[C@@H]2O[C@@H]3C[C@@H]4O[C@@H]5C[C@@H]6O[C@](C)(CCOCc7ccccc7)[C@H](C[C@H]6O[C@H]5C[C@H]4O[C@H]3CC[C@@]2(C)O[Si](C)(C)C)OCc2ccccc2)O[C@]1(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
Systematic name  (3)：
  • (2R,3S,5S,6R,9S,10R,12S,13R,15S,16R,18S,19R,21S,22R)-1-(tert-ブチルジフェニルシロキシ)-2,6,22-トリメチル-3-(4-メチルフェニルスルホニル)-6-(トリメチルシロキシ)-21,24-ビス(ベンジルオキシ)-2,3:5,10:9,13:12,16:15,19:18,22-ヘキサエポキシテトラコサン
  • {[(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]-20-{[(2S,3R)-3-{[(tert-ブチルジフェニルシリル)オキシ]メチル}-3-メチル-2-(4-メチルベンゼンスルホニル)オキシラン-2-イル]メチル}-7,19-ジメチル-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-19-イル]オキシ}トリメチルシラン
  • {[(1S,3R,5S,7R,8S,10R,12S,14R,16S,19R,20S,22R)-8-(benzyloxy)-7-[2-(benzyloxy)ethyl]-20-{[(2S,3R)-3-{[(tert-butyldiphenylsilyl)oxy]methyl}-3-methyl-2-(4-methylbenzenesulfonyl)oxiran-2-yl]methyl}-7,19-dimethyl-2,6,11,15,21-pentaoxapentacyclo[12.9.0.03,12.05,10.016,22]tricosan-19-yl]oxy}trimethylsilane
Other name (1)：
  • (2R,3S,5S,6R,9S,10R,12S,13R,15S,16R,18S,19R,21S,22R)-1-(tert-Butyldiphenylsiloxy)-2,6,22-trimethyl-3-(4-methylphenylsulfonyl)-6-(trimethylsiloxy)-21,24-bis(benzyloxy)-2,3:5,10:9,13:12,16:15,19:18,22-hexaepoxytetracosane
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