Chem
J-GLOBAL ID:200907096824081104
Nikkaji number:J1.570.053J
(3S,6R,7S,8S,9E,12Z,15S,16E)-3,7-Bis(tert-butyldimethylsiloxy)-4,4,6,8,12,16-hexamethyl-5-oxo-15-(triethylsiloxy)-17-(2-methyl-4-thiazolyl)-9,12,16-heptadecatrienoic acid 2-(trimethylsilyl)ethyl ester
(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-(トリエチルシロキシ)-17-(2-メチル-4-チアゾリル)-9,12,16-ヘプタデカトリエン酸2-(トリメチルシリル)エチル
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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:
C50 H95 NO6 SSi4
Molecular formula furigana:
C50-H95-N-O6-S-SI4
Molecular weight:
950.710
InChI:
InChI=1S/C50H95NO6SSi4/c1-24-62(25-2,26-3)55-43(39(6)34-42-36-58-41(8)51-42)31-30-37(4)28-27-29-38(5)46(57-61(22,23)49(12,13)14)40(7)47(53)50(15,16)44(56-60(20,21)48(9,10)11)35-45(52)54-32-33-59(17,18)19/h27,29-30,34,36,38,40,43-44,46H,24-26,28,31-33,35H2,1-23H3/b29-27+,37-30-,39-34+/t38-,40+,43-,44-,46-/m0/s1
InChI key:
JUAUQKXSZLYTAW-DJSBNGMBSA-N
SMILES:
CC[Si](CC)(CC)O[C@@H](C/C=C(/C)\C/C=C/[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)OCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)/C(=C/c1csc(C)n1)/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-(トリエチルシロキシ)-17-(2-メチル-4-チアゾリル)-9,12,16-ヘプタデカトリエン酸2-(トリメチルシリル)エチル
2-(トリメチルシリル)エチル (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]-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-15-[(トリエチルシリル)オキシ]ヘプタデカ-9,12,16-トリエノアート
2-(trimethylsilyl)ethyl (3S,6R,7S,8S,9E,12Z,15S,16E)-3,7-bis[(tert-butyldimethylsilyl)oxy]-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxo-15-[(triethylsilyl)oxy]heptadeca-9,12,16-trienoate
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-(triethylsiloxy)-17-(2-methyl-4-thiazolyl)-9,12,16-heptadecatrienoic acid 2-(trimethylsilyl)ethyl ester
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