Chem
J-GLOBAL ID：200907040648138700   Nikkaji number：J2.093.899D

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

(3aR,5aα,10aα,10cα)-3aα-メチル-8-メチレン-10bβ,6aβ,9β-[1-(2-ヒドロキシエトキシ)-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： C30H39NO4
Molecular formula furigana： C30-H39-N-O4
Molecular weight： 477.645
InChI： InChI=1S/C30H39NO4/c1-19-15-29-16-23-25-28(2,18-31(23)27(33)35-17-20-7-4-3-5-8-20)9-6-10-30(25)24(29)14-21(19)13-22(29)26(30)34-12-11-32/h3-5,7-8,21-26,32H,1,6,9-18H2,2H3/t21-,22?,23-,24+,25+,26?,28-,29-,30+/m0/s1
InChI key： PSFBSNSINJZKFG-XQHSECDNSA-N
SMILES： C[C@@]12CN([C@H]3C[C@@]45CC(=C)[C@H]6CC4C(OCCO)[C@](CCC1)([C@@H]5C6)[C@@H]23)C(=O)OCc1ccccc1
Systematic name  (3)：
  • (3aR,5aα,10aα,10cα)-3aα-メチル-8-メチレン-10bβ,6aβ,9β-[1-(2-ヒドロキシエトキシ)-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,10R,13R,17R,19R)-16-(2-ヒドロキシエトキシ)-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,10R,13R,17R,19R)-16-(2-hydroxyethoxy)-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-8-methylene-10bβ,6aβ,9β-[1-(2-hydroxyethoxy)-1,2,3-propanetriyl]hexadecahydrodibenzo[cd,f]indole-5-carboxylic acid benzyl ester
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