Chem
J-GLOBAL ID：200907071246058916   Nikkaji number：J2.057.473I

(3S,4S,6S,8R,10S)-3-(tert-Butyldimethylsiloxy)-4,6,8,10-tetramethyl-11-oxoundecanoic acid (1S,3E,5E)-1-[(1R)-2α-(4-methoxybenzyloxymethyl)cyclopentane-1β-yl]-6-bromo-6-cyano-3,5-hexadienyl ester

(3S,4S,6S,8R,10S)-3-(tert-ブチルジメチルシロキシ)-4,6,8,10-テトラメチル-11-オキソウンデカン酸(1S,3E,5E)-1-[(1R)-2α-(4-メトキシベンジルオキシメチル)シクロペンタン-1β-イル]-6-ブロモ-6-シアノ-3,5-ヘキサジエニル
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： C42H66BrNO6Si
Molecular formula furigana： C42-H66-BR-N-O6-SI
Molecular weight： 788.980
InChI： InChI=1S/C42H66BrNO6Si/c1-30(23-32(3)27-45)22-31(2)24-33(4)40(50-51(9,10)42(5,6)7)25-41(46)49-39(17-12-11-15-36(43)26-44)38-16-13-14-35(38)29-48-28-34-18-20-37(47-8)21-19-34/h11-12,15,18-21,27,30-33,35,38-40H,13-14,16-17,22-25,28-29H2,1-10H3/b12-11+,36-15+/t30-,31+,32+,33+,35+,38-,39+,40+/m1/s1
InChI key： JWDVWFLVSZARHI-SPEGFWEYSA-N
SMILES： COc1ccc(COC[C@@H]2CCC[C@H]2[C@H](C/C=C/C=C(/Br)\C#N)OC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@H](C)C=O)cc1
Systematic name  (3)：
  • (3S,4S,6S,8R,10S)-3-(tert-ブチルジメチルシロキシ)-4,6,8,10-テトラメチル-11-オキソウンデカン酸(1S,3E,5E)-1-[(1R)-2α-(4-メトキシベンジルオキシメチル)シクロペンタン-1β-イル]-6-ブロモ-6-シアノ-3,5-ヘキサジエニル
  • (1S,3E,5E)-6-ブロモ-6-シアノ-1-[(1R,2R)-2-{[(4-メトキシフェニル)メトキシ]メチル}シクロペンチル]ヘキサ-3,5-ジエン-1-イル (3S,4S,6S,8R,10S)-3-[(tert-ブチルジメチルシリル)オキシ]-4,6,8,10-テトラメチル-11-オキソウンデカノアート
  • (1S,3E,5E)-6-bromo-6-cyano-1-[(1R,2R)-2-{[(4-methoxyphenyl)methoxy]methyl}cyclopentyl]hexa-3,5-dien-1-yl (3S,4S,6S,8R,10S)-3-[(tert-butyldimethylsilyl)oxy]-4,6,8,10-tetramethyl-11-oxoundecanoate
Other name (1)：
  • (3S,4S,6S,8R,10S)-3-(tert-Butyldimethylsiloxy)-4,6,8,10-tetramethyl-11-oxoundecanoic acid (1S,3E,5E)-1-[(1R)-2α-(4-methoxybenzyloxymethyl)cyclopentane-1β-yl]-6-bromo-6-cyano-3,5-hexadienyl ester
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