Chem
J-GLOBAL ID：200907002882295667   Nikkaji number：J409.057H

(4aR)-1,4,4aα,13aα-テトラヒドロ-6aβ-(4-メチルフェニル)-1β,4β-メタノ-5H,12H-[3,1]ベンゾオキサジノ[2,1-b][1,3]ベンゾオキサジン-12-オン

(4aR)-1,4,4aα,13aα-テトラヒドロ-6aβ-(4-メチルフェニル)-1β,4β-メタノ-5H,12H-[3,1]ベンゾオキサジノ[2,1-b][1,3]ベンゾオキサジン-12-オン
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： C23H21NO3
Molecular formula furigana： C23-H21-N-O3
Molecular weight： 359.425
InChI： InChI=1S/C23H21NO3/c1-14-6-10-17(11-7-14)23-24(22(25)18-4-2-3-5-20(18)27-23)21-16-9-8-15(12-16)19(21)13-26-23/h2-11,15-16,19,21H,12-13H2,1H3/t15-,16+,19+,21-,23+/m0/s1
InChI key： VBDLFBUDVIBHOL-LVROPKJMSA-N
SMILES： Cc1ccc(cc1)[C@]12OC[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3N1C(=O)c1ccccc1O2
Systematic name  (3)：
  • (4aR)-1,4,4aα,13aα-テトラヒドロ-6aβ-(4-メチルフェニル)-1β,4β-メタノ-5H,12H-[3,1]ベンゾオキサジノ[2,1-b][1,3]ベンゾオキサジン-12-オン
  • (1S,2S,12R,15R,16R)-12-(4-メチルフェニル)-11,13-ジオキサ-3-アザペンタシクロ[14.2.1.02,15.03,12.05,10]ノナデカ-5,7,9,17-テトラエン-4-オン
  • (1S,2S,12R,15R,16R)-12-(4-methylphenyl)-11,13-dioxa-3-azapentacyclo[14.2.1.02,15.03,12.05,10]nonadeca-5,7,9,17-tetraen-4-one
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