Chem
J-GLOBAL ID：200907040988372872   Nikkaji number：J1.668.032J

(3S)-3β-(Trimethylsilyl)-6β-hexyl-1,2,3,6-tetrahydropyridazine-1,2,6-tricarboxylic acid 1,2-di-tert-butyl 6-[(4α)-1β,7,7-trimethyl-3β-benzhydrylbicyclo[2.2.1]heptane-2α-yl] ester

(3S)-3β-(トリメチルシリル)-6β-ヘキシル-1,2,3,6-テトラヒドロピリダジン-1,2,6-トリカルボン酸1,2-ジ-tert-ブチル6-[(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]
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： C47H70N2O6Si
Molecular formula furigana： C47-H70-N2-O6-SI
Molecular weight： 787.170
InChI： InChI=1S/C47H70N2O6Si/c1-14-15-16-23-30-47(32-29-36(56(11,12)13)48(41(51)54-43(2,3)4)49(47)42(52)55-44(5,6)7)40(50)53-39-38(35-28-31-46(39,10)45(35,8)9)37(33-24-19-17-20-25-33)34-26-21-18-22-27-34/h17-22,24-27,29,32,35-39H,14-16,23,28,30-31H2,1-13H3/t35-,36+,38-,39-,46+,47-/m1/s1
InChI key： HKZAXJUPEAGAAM-OWMKYJCYSA-N
SMILES： CCCCCC[C@@]1(C=C[C@@H](N(N1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[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)：
  • (3S)-3β-(トリメチルシリル)-6β-ヘキシル-1,2,3,6-テトラヒドロピリダジン-1,2,6-トリカルボン酸1,2-ジ-tert-ブチル6-[(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]
  • 1,2-ジ-tert-ブチル 3-(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 (3R,6S)-3-ヘキシル-6-(トリメチルシリル)-1,2,3,6-テトラヒドロピリダジン-1,2,3-トリカルボキシラート
  • 1,2-di-tert-butyl 3-(1R,2R,3R,4R)-3-(diphenylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl (3R,6S)-3-hexyl-6-(trimethylsilyl)-1,2,3,6-tetrahydropyridazine-1,2,3-tricarboxylate
Other name (1)：
  • (3S)-3β-(Trimethylsilyl)-6β-hexyl-1,2,3,6-tetrahydropyridazine-1,2,6-tricarboxylic acid 1,2-di-tert-butyl 6-[(4α)-1β,7,7-trimethyl-3β-benzhydrylbicyclo[2.2.1]heptane-2α-yl] ester
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