Chem
J-GLOBAL ID：200907075615192201   Nikkaji number：J1.777.628B

(4aR,4bR)-4aβ,4bα-Dimethyl-4,5-[1-(4-methylbenzyl)-2,5-dioxopyrrolidine-3,4-diylidene]-4,4a,4b,5,9,10-hexahydrophenanthrene

(4aR,4bR)-4aβ,4bα-ジメチル-4,5-[1-(4-メチルベンジル)-2,5-ジオキソピロリジン-3,4-ジイリデン]-4,4a,4b,5,9,10-ヘキサヒドロフェナントレン
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： C28H25NO2
Molecular formula furigana： C28-H25-N-O2
Molecular weight： 407.513
InChI： InChI=1S/C28H25NO2/c1-17-10-12-18(13-11-17)16-29-25(30)23-21-8-4-6-19-14-15-20-7-5-9-22(24(23)26(29)31)28(20,3)27(19,21)2/h4-13H,14-16H2,1-3H3/t27-,28-/m1/s1
InChI key： ZLJRNMMDWWJXBG-VSGBNLITSA-N
SMILES： Cc1ccc(CN2C(=O)C3=C4C=CC=C5CCC6=CC=CC(=C3C2=O)[C@]6(C)[C@@]45C)cc1
Systematic name  (3)：
  • (4aR,4bR)-4aβ,4bα-ジメチル-4,5-[1-(4-メチルベンジル)-2,5-ジオキソピロリジン-3,4-ジイリデン]-4,4a,4b,5,9,10-ヘキサヒドロフェナントレン
  • (18R,19R)-18,19-ジメチル-4-[(4-メチルフェニル)メチル]-4-アザペンタシクロ[9.6.2.02,6.07,19.014,18]ノナデカ-1,6,8,10,14,16-ヘキサエン-3,5-ジオン
  • (18R,19R)-18,19-dimethyl-4-[(4-methylphenyl)methyl]-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1,6,8,10,14,16-hexaene-3,5-dione
Other name (1)：
  • (4aR,4bR)-4aβ,4bα-Dimethyl-4,5-[1-(4-methylbenzyl)-2,5-dioxopyrrolidine-3,4-diylidene]-4,4a,4b,5,9,10-hexahydrophenanthrene
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