Chem
J-GLOBAL ID：200907051716022335   Nikkaji number：J2.311.283C

(1S,17E)-1β-Hydroxy-5,10α,12β,16α,18,20β,22α-heptamethyl-4,6-dimethoxy-7,11-bis(tert-butyldimethylsiloxy)-9α,13α-epoxy-3,8-cyclocyclodocosa-3,5,7,17-tetraene

(1S,17E)-1β-ヒドロキシ-5,10α,12β,16α,18,20β,22α-ヘプタメチル-4,6-ジメトキシ-7,11-ビス(tert-ブチルジメチルシロキシ)-9α,13α-エポキシ-3,8-シクロシクロドコサ-3,5,7,17-テトラエン
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： C43H78O6Si2
Molecular formula furigana： C43-H78-O6-SI2
Molecular weight： 747.261
InChI： InChI=1S/C43H78O6Si2/c1-26-20-21-35-30(5)37(48-50(16,17)42(8,9)10)31(6)39(47-35)36-33(25-34(44)29(4)24-28(3)23-27(2)22-26)38(45-14)32(7)40(46-15)41(36)49-51(18,19)43(11,12)13/h22,26,28-31,34-35,37,39,44H,20-21,23-25H2,1-19H3/b27-22+/t26-,28+,29-,30-,31+,34-,35+,37?,39+/m0/s1
InChI key： KVDOHOLAFWLWJY-UTPSQSNGSA-N
SMILES： COc1c(C)c(OC)c(O[Si](C)(C)C(C)(C)C)c2[C@@H]3O[C@H](CC[C@H](C)/C=C(\C)/C[C@@H](C)C[C@H](C)[C@@H](O)Cc12)[C@H](C)C(O[Si](C)(C)C(C)(C)C)[C@H]3C
Systematic name  (3)：
  • (1S,17E)-1β-ヒドロキシ-5,10α,12β,16α,18,20β,22α-ヘプタメチル-4,6-ジメトキシ-7,11-ビス(tert-ブチルジメチルシロキシ)-9α,13α-エポキシ-3,8-シクロシクロドコサ-3,5,7,17-テトラエン
  • (1R,9S,10S,12S,14E,16S,19R,20S,22S)-3,21-ビス[(tert-ブチルジメチルシリル)オキシ]-4,6-ジメトキシ-5,10,12,14,16,20,22-ヘプタメチル-23-オキサトリシクロ[17.3.1.02,7]トリコサ-2(7),3,5,14-テトラエン-9-オール
  • (1R,9S,10S,12S,14E,16S,19R,20S,22S)-3,21-bis[(tert-butyldimethylsilyl)oxy]-4,6-dimethoxy-5,10,12,14,16,20,22-heptamethyl-23-oxatricyclo[17.3.1.02,7]tricosa-2(7),3,5,14-tetraen-9-ol
Other name (1)：
  • (1S,17E)-1β-Hydroxy-5,10α,12β,16α,18,20β,22α-heptamethyl-4,6-dimethoxy-7,11-bis(tert-butyldimethylsiloxy)-9α,13α-epoxy-3,8-cyclocyclodocosa-3,5,7,17-tetraene
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