Chem
J-GLOBAL ID:200907017879705037   Nikkaji number:J2.183.682F

(3R,11E)-4α,6β,10α,12,14β,16α,22-Heptamethyl-5β,20-bis(tert-butyldimethylsiloxy)-21,23-dimethoxy-1,2-[1,3]butadieno-3α,7α-epoxycyclooctadeca-1,11-diene-17β-ol

(3R,11E)-4α,6β,10α,12,14β,16α,22-ヘプタメチル-5β,20-ビス(tert-ブチルジメチルシロキシ)-21,23-ジメトキシ-1,2-[1,3]ブタジエノ-3α,7α-エポキシシクロオクタデカ-1,11-ジエン-17β-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: 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-AWVYJCOWSA-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@H](O[Si](C)(C)C(C)(C)C)[C@H]3C
Systematic name  (3):
  • (3R,11E)-4α,6β,10α,12,14β,16α,22-ヘプタメチル-5β,20-ビス(tert-ブチルジメチルシロキシ)-21,23-ジメトキシ-1,2-[1,3]ブタジエノ-3α,7α-エポキシシクロオクタデカ-1,11-ジエン-17β-オール
  • (1R,9S,10S,12S,14E,16S,19R,20S,21S,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,21S,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):
  • (3R,11E)-4α,6β,10α,12,14β,16α,22-Heptamethyl-5β,20-bis(tert-butyldimethylsiloxy)-21,23-dimethoxy-1,2-[1,3]butadieno-3α,7α-epoxycyclooctadeca-1,11-diene-17β-ol
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