Chem
J-GLOBAL ID:200907002571881740
Nikkaji number:J2.318.398F
3-Mesityl-5β-tert-butyl-2-isoxazoline-4α-carboxylic acid (1R,4β)-1-[(dicyclohexylsulfamoyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptane-2β-yl ester
3-メシチル-5β-tert-ブチル-2-イソオキサゾリン-4α-カルボン酸(1R,4β)-1-[(ジシクロヘキシルスルファモイル)メチル]-7,7-ジメチルビシクロ[2.2.1]ヘプタン-2β-イル
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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:
C39 H60 N2 O5 S
Molecular formula furigana:
C39-H60-N2-O5-S
Molecular weight:
668.980
InChI:
InChI=1S/C39H60N2O5S/c1-25-21-26(2)32(27(3)22-25)34-33(35(46-40-34)37(4,5)6)36(42)45-31-23-28-19-20-39(31,38(28,7)8)24-47(43,44)41(29-15-11-9-12-16-29)30-17-13-10-14-18-30/h21-22,28-31,33,35H,9-20,23-24H2,1-8H3/t28-,31-,33-,35-,39-/m0/s1
InChI key:
XARQFKKJVISQOU-VRSMJYKBSA-N
SMILES:
Cc1cc(C)c(C2=NO[C@@H]([C@H]2C(=O)O[C@H]2C[C@@H]3CC[C@@]2(CS(=O)(=O)N(C2CCCCC2)C2CCCCC2)C3(C)C)C(C)(C)C)c(C)c1
Systematic name (3):
3-メシチル-5β-tert-ブチル-2-イソオキサゾリン-4α-カルボン酸(1R,4β)-1-[(ジシクロヘキシルスルファモイル)メチル]-7,7-ジメチルビシクロ[2.2.1]ヘプタン-2β-イル
(1R,2S,4S)-1-[(ジシクロヘキシルスルファモイル)メチル]-7,7-ジメチルビシクロ[2.2.1]ヘプタン-2-イル (4S,5S)-5-tert-ブチル-3-(2,4,6-トリメチルフェニル)-4,5-ジヒドロ-1,2-オキサゾール-4-カルボキシラート
(1R,2S,4S)-1-[(dicyclohexylsulfamoyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-yl (4S,5S)-5-tert-butyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
Other name (1):
3-Mesityl-5β-tert-butyl-2-isoxazoline-4α-carboxylic acid (1R,4β)-1-[(dicyclohexylsulfamoyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptane-2β-yl ester
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