Chem
J-GLOBAL ID：200907016730899550   Nikkaji number：J1.866.816E

Communesin B

コンムネシンB
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： C32H36N4O2
Molecular formula furigana： C32-H36-N4-O2
Molecular weight： 508.666
InChI： InChI=1S/C32H36N4O2/c1-5-6-7-15-24(37)35-18-16-31-21-12-8-9-13-22(21)33-28-32(31)17-19-36(29(31)35)26(27-30(2,3)38-27)20-11-10-14-23(25(20)32)34(28)4/h5-15,26-29,33H,16-19H2,1-4H3/b6-5+,15-7+/t26-,27+,28+,29+,31-,32-/m0/s1
InChI key： XZFSMUXVAYCHFO-RPCCRITPSA-N
SMILES： C/C=C/C=C/C(=O)N1CC[C@]23[C@H]1N1CC[C@@]42[C@H](Nc2ccccc32)N(C)c2cccc([C@H]1[C@H]1OC1(C)C)c42
Systematic name  (3)：
  • (3aR,8aR,13bR,16R,16aS,17S)-1-[(2E,4E)-1-オキソ-2,4-ヘキサジエニル]-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
  • (2E,4E)-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-7,9,11,16,18,20-ヘキサエン-3-イル]ヘキサ-2,4-ジエン-1-オン
  • (2E,4E)-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-7,9,11,16,18,20-hexaen-3-yl]hexa-2,4-dien-1-one
Other name (3)：
  • (3aR,8aR,13bR,16R,16aS,17S)-1-[(2E,4E)-1-Oxo-2,4-hexadienyl]-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B
  • Communesin B
CAS registry number： 148439-46-7
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