Chem
J-GLOBAL ID：200907075766748422   Nikkaji number：J2.093.898F

(2aR,8aβ,8bβ)-2aβ-Methyl-7β-(2-propynyl)-5aα,7,6α-[(Z)-1-(2-hydroxyethoxy)-3-pentene-1,2,5-triyl]dodecahydrobenzo[cd]indole-1-carboxylic acid benzyl ester

(2aR,8aβ,8bβ)-2aβ-メチル-7β-(2-プロピニル)-5aα,7,6α-[(Z)-1-(2-ヒドロキシエトキシ)-3-ペンテン-1,2,5-トリイル]ドデカヒドロベンゾ[cd]インドール-1-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： C30H37NO4
Molecular formula furigana： C30-H37-N-O4
Molecular weight： 475.629
InChI： InChI=1S/C30H37NO4/c1-3-13-29-18-23-25-28(2,20-31(23)27(33)35-19-21-9-5-4-6-10-21)14-8-15-30(25)24(29)12-7-11-22(29)26(30)34-17-16-32/h1,4-7,9-11,22-26,32H,8,12-20H2,2H3/t22?,23-,24+,25+,26?,28-,29-,30?/m0/s1
InChI key： QUCCSZWLFNGNNO-NVHLIVRDSA-N
SMILES： C[C@@]12CN([C@H]3C[C@]4(CC#C)[C@H]5CC=CC4C(OCCO)[C@@]5(CCC1)[C@@H]23)C(=O)OCc1ccccc1
Systematic name  (3)：
  • (2aR,8aβ,8bβ)-2aβ-メチル-7β-(2-プロピニル)-5aα,7,6α-[(Z)-1-(2-ヒドロキシエトキシ)-3-ペンテン-1,2,5-トリイル]ドデカヒドロベンゾ[cd]インドール-1-カルボン酸ベンジル
  • ベンジル (1R,7R,8R,10S,13R,17R)-2-(2-ヒドロキシエトキシ)-13-メチル-8-(プロパ-2-イン-1-イル)-11-アザペンタシクロ[8.6.1.01,7.03,8.013,17]ヘプタデカ-4-エン-11-カルボキシラート
  • benzyl (1R,7R,8R,10S,13R,17R)-2-(2-hydroxyethoxy)-13-methyl-8-(prop-2-yn-1-yl)-11-azapentacyclo[8.6.1.01,7.03,8.013,17]heptadec-4-ene-11-carboxylate
Other name (1)：
  • (2aR,8aβ,8bβ)-2aβ-Methyl-7β-(2-propynyl)-5aα,7,6α-[(Z)-1-(2-hydroxyethoxy)-3-pentene-1,2,5-triyl]dodecahydrobenzo[cd]indole-1-carboxylic acid benzyl ester
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