Chem
J-GLOBAL ID：200907088810273440   Nikkaji number：J1.569.984A

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

(3S,6R,7S,8S,9Z,12Z,15S,16E)-3,7,15-トリス(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-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： C45H83NO6SSi3
Molecular formula furigana： C45-H83-N-O6-S-SI3
Molecular weight： 850.480
InChI： InChI=1S/C45H83NO6SSi3/c1-31(26-27-37(50-54(17,18)42(6,7)8)33(3)28-36-30-53-35(5)46-36)24-23-25-32(2)40(52-56(21,22)44(12,13)14)34(4)41(49)45(15,16)38(29-39(47)48)51-55(19,20)43(9,10)11/h23,25-26,28,30,32,34,37-38,40H,24,27,29H2,1-22H3,(H,47,48)/b25-23-,31-26-,33-28+/t32-,34+,37-,38-,40-/m0/s1
InChI key： CEMUBNMGMMQTTL-IIKXSBQMSA-N
SMILES： C[C@@H](/C=C\C/C(=C\C[C@H](O[Si](C)(C)C(C)(C)C)/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,9Z,12Z,15S,16E)-3,7,15-トリス(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-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,9Z,12Z,15S,16E)-3,7,15-トリス[(tert-ブチルジメチルシリル)オキシ]-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,9Z,12Z,15S,16E)-3,7,15-tris[(tert-butyldimethylsilyl)oxy]-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,9Z,12Z,15S,16E)-3,7,15-Tris(tert-butyldimethylsiloxy)-4,4,6,8,12,16-hexamethyl-5-oxo-17-(2-methyl-4-thiazolyl)-9,12,16-heptadecatrienoic acid
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