Chem
J-GLOBAL ID：200907018468919628   Nikkaji number：J2.083.179K

7,7′-Trimethylenebis[(4aR)-4aα-methyl-6β,11cβ-epoxy-1,2,3,4,4a,6,6aα,7,11bα,11c-decahydro-5H-benzo[c]carbazole-5-one]

7,7′-トリメチレンビス[(4aR)-4aα-メチル-6β,11cβ-エポキシ-1,2,3,4,4a,6,6aα,7,11bα,11c-デカヒドロ-5H-ベンゾ[c]カルバゾール-5-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： C37H42N2O4
Molecular formula furigana： C37-H42-N2-O4
Molecular weight： 578.753
InChI： InChI=1S/C37H42N2O4/c1-34-16-7-9-18-36(34)26-22-12-3-5-14-24(22)38(28(26)30(42-36)32(34)40)20-11-21-39-25-15-6-4-13-23(25)27-29(39)31-33(41)35(2)17-8-10-19-37(27,35)43-31/h3-6,12-15,26-31H,7-11,16-21H2,1-2H3/t26-,27-,28+,29+,30+,31+,34+,35+,36-,37-/m1/s1
InChI key： ICHCWFBVKZYOPM-JBQXVDEJSA-N
SMILES： C[C@@]12CCCC[C@@]31O[C@@H]([C@@H]1[C@H]3c3ccccc3N1CCCN1[C@@H]3[C@@H]4O[C@]5(CCCC[C@@]5(C)C4=O)[C@@H]3c3ccccc13)C2=O
Systematic name  (3)：
  • 7,7′-トリメチレンビス[(4aR)-4aα-メチル-6β,11cβ-エポキシ-1,2,3,4,4a,6,6aα,7,11bα,11c-デカヒドロ-5H-ベンゾ[c]カルバゾール-5-オン]
  • (1R,2R,10S,11S,13R)-13-メチル-9-{3-[(1R,2R,10S,11S,13R)-13-メチル-12-オキソ-18-オキサ-9-アザペンタシクロ[9.6.1.01,13.02,10.03,8]オクタデカ-3,5,7-トリエン-9-イル]プロピル}-18-オキサ-9-アザペンタシクロ[9.6.1.01,13.02,10.03,8]オクタデカ-3,5,7-トリエン-12-オン
  • (1R,2R,10S,11S,13R)-13-methyl-9-{3-[(1R,2R,10S,11S,13R)-13-methyl-12-oxo-18-oxa-9-azapentacyclo[9.6.1.01,13.02,10.03,8]octadeca-3,5,7-trien-9-yl]propyl}-18-oxa-9-azapentacyclo[9.6.1.01,13.02,10.03,8]octadeca-3,5,7-trien-12-one
Other name (1)：
  • 7,7′-Trimethylenebis[(4aR)-4aα-methyl-6β,11cβ-epoxy-1,2,3,4,4a,6,6aα,7,11bα,11c-decahydro-5H-benzo[c]carbazole-5-one]
Thsaurus map：
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