Chem
J-GLOBAL ID：200907033011798042   Nikkaji number：J2.093.901J

(3aR,5aα,10aα,10cα)-3aα-Methyl-7α-acetoxy-8-methylene-10bβ,6aβ,9β-(1-hydroxy-1,2,3-propanetriyl)hexadecahydrodibenzo[cd,f]indole-5-carboxylic acid benzyl ester

(3aR,5aα,10aα,10cα)-3aα-メチル-7α-アセトキシ-8-メチレン-10bβ,6aβ,9β-(1-ヒドロキシ-1,2,3-プロパントリイル)ヘキサデカヒドロジベンゾ[cd,f]インドール-5-カルボン酸ベンジル
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： C30H37NO5
Molecular formula furigana： C30-H37-N-O5
Molecular weight： 491.628
InChI： InChI=1S/C30H37NO5/c1-17-20-12-21-25(33)29-11-7-10-28(3)16-31(27(34)35-15-19-8-5-4-6-9-19)22(24(28)29)14-30(21,23(29)13-20)26(17)36-18(2)32/h4-6,8-9,20-26,33H,1,7,10-16H2,2-3H3/t20-,21?,22-,23-,24+,25?,26+,28-,29+,30+/m0/s1
InChI key： KLYJHFCLEDYCPC-XAOAZFCDSA-N
SMILES： CC(=O)O[C@@H]1C(=C)[C@H]2CC3C(O)[C@]45CCC[C@@]6(C)CN([C@@H](C[C@@]13[C@H]4C2)[C@@H]56)C(=O)OCc1ccccc1
Systematic name  (3)：
  • (3aR,5aα,10aα,10cα)-3aα-メチル-7α-アセトキシ-8-メチレン-10bβ,6aβ,9β-(1-ヒドロキシ-1,2,3-プロパントリイル)ヘキサデカヒドロジベンゾ[cd,f]インドール-5-カルボン酸ベンジル
  • ベンジル (1R,5R,8S,10S,11R,13R,17S,19R)-11-(アセチルオキシ)-16-ヒドロキシ-5-メチル-12-メチリデン-7-アザヘキサシクロ[11.3.2.11,5.010,15.010,17.08,19]ノナデカン-7-カルボキシラート
  • benzyl (1R,5R,8S,10S,11R,13R,17S,19R)-11-(acetyloxy)-16-hydroxy-5-methyl-12-methylidene-7-azahexacyclo[11.3.2.11,5.010,15.010,17.08,19]nonadecane-7-carboxylate
Other name (1)：
  • (3aR,5aα,10aα,10cα)-3aα-Methyl-7α-acetoxy-8-methylene-10bβ,6aβ,9β-(1-hydroxy-1,2,3-propanetriyl)hexadecahydrodibenzo[cd,f]indole-5-carboxylic acid benzyl ester
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