Chem
J-GLOBAL ID：200907032250296184
Nikkaji number：J1.798.682A
(2R,2′S)-1-Phenyl-1′,2-(4-bromo-o-phenylene)-2,2′-bi[adamantane]
(2R,2′S)-1-フェニル-1′,2-(4-ブロモ-o-フェニレン)-2,2′-ビ[アダマンタン]
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： C32H35Br
Molecular formula furigana： C32-H35-BR
Molecular weight： 499.536
InChI：
InChI=1S/C32H35Br/c33-26-6-7-27-28(14-26)32(29-23-10-19-8-20(11-23)16-30(27,29)15-19)25-12-21-9-22(13-25)18-31(32,17-21)24-4-2-1-3-5-24/h1-7,14,19-23,25,29H,8-13,15-18H2/t19-,20+,21-,22+,23-,25-,29-,30+,31+,32+/m0/s1
InChI key：
WEMADYSHHIASBI-NNSMYPIXSA-N
SMILES：
Brc1ccc2c(c1)[C@@]1([C@H]3[C@H]4C[C@@H]5C[C@H](C4)C[C@]23C5)[C@H]2C[C@@H]3C[C@H](C2)C[C@]1(C3)c1ccccc1
Systematic name (3)：
- (2R,2′S)-1-フェニル-1′,2-(4-ブロモ-o-フェニレン)-2,2′-ビ[アダマンタン]
- (1s,1'R,2R,3r,5S,7R,9'S,10'R,12'S,14'R)-5'-ブロモ-3-フェニルスピロ[アダマンタン-2,8'-ペンタシクロ[10.3.1.110,14.01,9.02,7]ヘプタデカン]-2',4',6'-トリエン
- (1s,1'R,2R,3r,5S,7R,9'S,10'R,12'S,14'R)-5'-bromo-3-phenylspiro[adamantane-2,8'-pentacyclo[10.3.1.110,14.01,9.02,7]heptadecane]-2',4',6'-triene
- (2R,2′S)-1-Phenyl-1′,2-(4-bromo-o-phenylene)-2,2′-bi[adamantane]
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