Chem
J-GLOBAL ID：201007040833413786   Nikkaji number：J2.825.307I

Communesin E

コンムネシンE
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： C27H30N4O2
Molecular formula furigana： C27-H30-N4-O2
Molecular weight： 442.563
InChI： InChI=1S/C27H30N4O2/c1-15(32)30-13-11-26-17-8-4-5-9-18(17)28-23-27(26)12-14-31(24(26)30)21(22-25(2,3)33-22)16-7-6-10-19(29-23)20(16)27/h4-10,21-24,28-29H,11-14H2,1-3H3/t21-,22+,23+,24+,26-,27-/m0/s1
InChI key： XJXBCJLZWKPOFG-JOOMPNRTSA-N
SMILES： CC(=O)N1CC[C@]23[C@H]1N1CC[C@@]42[C@@H](Nc2cccc([C@H]1[C@H]1OC1(C)C)c42)Nc1ccccc31
Systematic name  (3)：
  • (3aR,8aR,13bR,17S)-1-アセチル-17-[(2R)-3,3-ジメチルオキシラニル]-13,16-メタノ-1,2,3,8aβ,9,14,15,16aα-オクタヒドロ-8H,16H-ピロロ[2′,3′:2,3]ピリド[4,3-o]キニンドリン
  • 1-[(2S,6R,14R,22R,25S)-25-[(2R)-3,3-ジメチルオキシラン-2-イル]-1,3,13,15-テトラアザヘプタシクロ[18.4.1.02,6.06,22.07,12.014,22.016,21]ペンタコサ-7,9,11,16,18,20-ヘキサエン-3-イル]エタン-1-オン
  • 1-[(2S,6R,14R,22R,25S)-25-[(2R)-3,3-dimethyloxiran-2-yl]-1,3,13,15-tetraazaheptacyclo[18.4.1.02,6.06,22.07,12.014,22.016,21]pentacosa-7,9,11,16,18,20-hexaen-3-yl]ethan-1-one
Other name (3)：
  • (3aR,8aR,13bR,17S)-1-Acetyl-17-[(2R)-3,3-dimethyloxiranyl]-13,16-methano-1,2,3,8aβ,9,14,15,16aα-octahydro-8H,16H-pyrrolo[2′,3′:2,3]pyrido[4,3-o]quinindoline
  • コンムネシンE
  • Communesin E
CAS registry number： 727416-58-2
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