Chem
J-GLOBAL ID：200907054511450180   Nikkaji number：J1.668.036B

(3aS)-6α-(Trimethylsilyl)-2,3,3aβ,6,7,7aα-hexahydro-1H-indene-5,7α-dicarboxylic acid 5-[(4α)-1β,7,7-trimethyl-3β-benzhydrylbicyclo[2.2.1]heptane-2α-yl]7-ethyl ester

(3aS)-6α-(トリメチルシリル)-2,3,3aβ,6,7,7aα-ヘキサヒドロ-1H-インデン-5,7α-ジカルボン酸5-[(4α)-1β,7,7-トリメチル-3β-ベンズヒドリルビシクロ[2.2.1]ヘプタン-2α-イル]7-エチル
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： C39H52O4Si
Molecular formula furigana： C39-H52-O4-SI
Molecular weight： 612.926
InChI： InChI=1S/C39H52O4Si/c1-8-42-37(41)32-28-21-15-20-27(28)24-29(34(32)44(5,6)7)36(40)43-35-33(30-22-23-39(35,4)38(30,2)3)31(25-16-11-9-12-17-25)26-18-13-10-14-19-26/h9-14,16-19,24,27-28,30-35H,8,15,20-23H2,1-7H3/t27-,28+,30-,32-,33-,34+,35-,39+/m1/s1
InChI key： VVGBUEOFHDELJZ-WDBWBWHISA-N
SMILES： CCOC(=O)[C@@H]1[C@H]2CCC[C@@H]2C=C([C@@H]1[Si](C)(C)C)C(=O)O[C@@H]1[C@@H](C(c2ccccc2)c2ccccc2)[C@H]2CC[C@]1(C)C2(C)C
Systematic name  (3)：
  • (3aS)-6α-(トリメチルシリル)-2,3,3aβ,6,7,7aα-ヘキサヒドロ-1H-インデン-5,7α-ジカルボン酸5-[(4α)-1β,7,7-トリメチル-3β-ベンズヒドリルビシクロ[2.2.1]ヘプタン-2α-イル]7-エチル
  • 6-(1R,2R,3R,4R)-3-(ジフェニルメチル)-1,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2-イル 4-エチル (3aS,4S,5R,7aS)-5-(トリメチルシリル)-2,3,3a,4,5,7a-ヘキサヒドロ-1H-インデン-4,6-ジカルボキシラート
  • 6-(1R,2R,3R,4R)-3-(diphenylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-ethyl (3aS,4S,5R,7aS)-5-(trimethylsilyl)-2,3,3a,4,5,7a-hexahydro-1H-indene-4,6-dicarboxylate
Other name (1)：
  • (3aS)-6α-(Trimethylsilyl)-2,3,3aβ,6,7,7aα-hexahydro-1H-indene-5,7α-dicarboxylic acid 5-[(4α)-1β,7,7-trimethyl-3β-benzhydrylbicyclo[2.2.1]heptane-2α-yl]7-ethyl ester
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