Chem
J-GLOBAL ID：200907029492447526
Nikkaji number：J391.172A
(2S)-2α-Hydroxy-2-tert-butyladamantan-4-one
(2S)-2α-ヒドロキシ-2-tert-ブチルアダマンタン-4-オン
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
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
Molecular formula： C14H22O2
Molecular formula furigana： C14-H22-O2
Molecular weight： 222.328
InChI：
InChI=1S/C14H22O2/c1-13(2,3)14(16)10-5-8-4-9(7-10)12(15)11(14)6-8/h8-11,16H,4-7H2,1-3H3/t8-,9+,10-,11+,14-/m0/s1
InChI key：
RYONSNUJNJYMCI-DMIRSCGOSA-N
SMILES：
CC(C)(C)[C@]1(O)[C@H]2C[C@@H]3C[C@H](C2)C(=O)[C@H]1C3
Systematic name (3)：
- (2S)-2α-ヒドロキシ-2-tert-ブチルアダマンタン-4-オン
- (1R,3S,4S,5S,7R)-4-tert-ブチル-4-ヒドロキシアダマンタン-2-オン
- (1R,3S,4S,5S,7R)-4-tert-butyl-4-hydroxyadamantan-2-one
- (2S)-2α-Hydroxy-2-tert-butyladamantan-4-one
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