Chem
J-GLOBAL ID：200907013280876865   Nikkaji number：J2.032.511I

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コンムネシンA
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： C28H32N4O2
Molecular formula furigana： C28-H32-N4-O2
Molecular weight： 456.590
InChI： InChI=1S/C28H32N4O2/c1-16(33)31-14-12-27-18-9-5-6-10-19(18)29-24-28(27)13-15-32(25(27)31)22(23-26(2,3)34-23)17-8-7-11-20(21(17)28)30(24)4/h5-11,22-25,29H,12-15H2,1-4H3/t22-,23+,24+,25+,27-,28-/m0/s1
InChI key： QKUUVGNHUMKUAN-SFCIDSGNSA-N
SMILES： CN1[C@H]2Nc3ccccc3[C@@]34CCN([C@@H]3N3CC[C@]24c2c1cccc2[C@H]3[C@H]1OC1(C)C)C(=O)C
Systematic name  (3)：
  • (3aR,8aR,13bR,17S)-1-アセチル-9-メチル-17-[(2R)-3,3-ジメチルオキシラン-2α-イル]-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]-15-メチル-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(21),17,19-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]-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.02,6.06,22.07,12.014,22.016,21]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]ethan-1-one
Other name (4)：
  • (3aR,8aR,13bR,17S)-1-Acetyl-9-methyl-17-[(2R)-3,3-dimethyloxirane-2α-yl]-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A
  • Communesin A
  • Communesine A
CAS registry number： 148439-45-6
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