Chem
J-GLOBAL ID：200907072227100320   Nikkaji number：J396.286E

(2R)-4-(3,3-Dimethylbutyl)-2-tert-butyladamantane-2β,4β-diol

(2R)-4-(3,3-ジメチルブチル)-2-tert-ブチルアダマンタン-2β,4β-ジオール
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： C20H36O2
Molecular formula furigana： C20-H36-O2
Molecular weight： 308.506
InChI： InChI=1S/C20H36O2/c1-17(2,3)7-8-19(21)14-9-13-10-15(12-14)20(22,16(19)11-13)18(4,5)6/h13-16,21-22H,7-12H2,1-6H3/t13-,14+,15-,16+,19-,20+/m0/s1
InChI key： IWQFEOAVXTTYAF-KQDWJIRRSA-N
SMILES： CC(C)(C)CC[C@]1(O)[C@@H]2C[C@H]3C[C@@H](C2)[C@@](O)([C@@H]1C3)C(C)(C)C
Systematic name  (3)：
  • (2R)-4-(3,3-ジメチルブチル)-2-tert-ブチルアダマンタン-2β,4β-ジオール
  • (1S,2R,3R,4S,5R,7S)-2-tert-ブチル-4-(3,3-ジメチルブチル)アダマンタン-2,4-ジオール
  • (1S,2R,3R,4S,5R,7S)-2-tert-butyl-4-(3,3-dimethylbutyl)adamantane-2,4-diol
Other name (1)：
  • (2R)-4-(3,3-Dimethylbutyl)-2-tert-butyladamantane-2β,4β-diol
Thsaurus map：
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