Chem
J-GLOBAL ID：200907071442175939   Nikkaji number：J1.570.054H

(3S,6R,7S,8S,9E,12Z,15S,16E)-3,7-Bis(tert-butyldimethylsiloxy)-4,4,6,8,12,16-hexamethyl-5-oxo-15-hydroxy-17-(2-methyl-4-thiazolyl)-9,12,16-heptadecatrienoic acid

(3S,6R,7S,8S,9E,12Z,15S,16E)-3,7-ビス(tert-ブチルジメチルシロキシ)-4,4,6,8,12,16-ヘキサメチル-5-オキソ-15-ヒドロキシ-17-(2-メチル-4-チアゾリル)-9,12,16-ヘプタデカトリエン酸
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： C39H69NO6SSi2
Molecular formula furigana： C39-H69-N-O6-S-SI2
Molecular weight： 736.210
InChI： InChI=1S/C39H69NO6SSi2/c1-26(21-22-32(41)28(3)23-31-25-47-30(5)40-31)19-18-20-27(2)35(46-49(16,17)38(9,10)11)29(4)36(44)39(12,13)33(24-34(42)43)45-48(14,15)37(6,7)8/h18,20-21,23,25,27,29,32-33,35,41H,19,22,24H2,1-17H3,(H,42,43)/b20-18+,26-21-,28-23+/t27-,29+,32-,33-,35-/m0/s1
InChI key： AVZWRSDMPKNVPC-COHHJLETSA-N
SMILES： C[C@@H](/C=C/C/C(=C\C[C@H](O)/C(=C/c1csc(C)n1)/C)/C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
Systematic name  (3)：
  • (3S,6R,7S,8S,9E,12Z,15S,16E)-3,7-ビス(tert-ブチルジメチルシロキシ)-4,4,6,8,12,16-ヘキサメチル-5-オキソ-15-ヒドロキシ-17-(2-メチル-4-チアゾリル)-9,12,16-ヘプタデカトリエン酸
  • (3S,6R,7S,8S,9E,12Z,15S,16E)-3,7-ビス[(tert-ブチルジメチルシリル)オキシ]-15-ヒドロキシ-4,4,6,8,12,16-ヘキサメチル-17-(2-メチル-1,3-チアゾール-4-イル)-5-オキソヘプタデカ-9,12,16-トリエン酸
  • (3S,6R,7S,8S,9E,12Z,15S,16E)-3,7-bis[(tert-butyldimethylsilyl)oxy]-15-hydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxoheptadeca-9,12,16-trienoic acid
Other name (1)：
  • (3S,6R,7S,8S,9E,12Z,15S,16E)-3,7-Bis(tert-butyldimethylsiloxy)-4,4,6,8,12,16-hexamethyl-5-oxo-15-hydroxy-17-(2-methyl-4-thiazolyl)-9,12,16-heptadecatrienoic acid
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