Chem
J-GLOBAL ID：200907001871037805   Nikkaji number：J609.117B

3-(4-Bromophenyl)-4a,7a-dihydro-6,7aβ-dimethyl-4aβ,5-diphenyl-7H-cyclopenta[e]-1,4,2-dioxazine

3-(4-ブロモフェニル)-4a,7a-ジヒドロ-6,7aβ-ジメチル-4aβ,5-ジフェニル-7H-シクロペンタ[e]-1,4,2-ジオキサジン
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： C26H22BrNO2
Molecular formula furigana： C26-H22-BR-N-O2
Molecular weight： 460.371
InChI： InChI=1S/C26H22BrNO2/c1-18-17-25(2)26(21-11-7-4-8-12-21,23(18)19-9-5-3-6-10-19)29-24(28-30-25)20-13-15-22(27)16-14-20/h3-16H,17H2,1-2H3/t25-,26+/m0/s1
InChI key： ASAHQDFBRYZQDX-IZZNHLLZSA-N
SMILES： CC1=C(c2ccccc2)[C@]2(OC(=NO[C@@]2(C)C1)c1ccc(Br)cc1)c1ccccc1
Systematic name  (3)：
  • 3-(4-ブロモフェニル)-4a,7a-ジヒドロ-6,7aβ-ジメチル-4aβ,5-ジフェニル-7H-シクロペンタ[e]-1,4,2-ジオキサジン
  • (4aR,7aS)-3-(4-ブロモフェニル)-6,7a-ジメチル-4a,5-ジフェニル-4aH,7H,7aH-シクロペンタ[e][1,4,2]ジオキサジン
  • (4aR,7aS)-3-(4-bromophenyl)-6,7a-dimethyl-4a,5-diphenyl-4aH,7H,7aH-cyclopenta[e][1,4,2]dioxazine
Other name (1)：
  • 3-(4-Bromophenyl)-4a,7a-dihydro-6,7aβ-dimethyl-4aβ,5-diphenyl-7H-cyclopenta[e]-1,4,2-dioxazine
Thsaurus map：
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