Chem
J-GLOBAL ID：200907028340206349   Nikkaji number：J2.007.244J

Communesin C

コンムネシンC
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： C31H34N4O2
Molecular formula furigana： C31-H34-N4-O2
Molecular weight： 494.639
InChI： InChI=1S/C31H34N4O2/c1-4-5-6-14-23(36)34-17-15-30-20-11-7-8-12-21(20)32-27-31(30)16-18-35(28(30)34)25(26-29(2,3)37-26)19-10-9-13-22(33-27)24(19)31/h4-14,25-28,32-33H,15-18H2,1-3H3/b5-4+,14-6+/t25-,26+,27+,28+,30-,31-/m0/s1
InChI key： NGWRTMWKLOPVRM-SNBYXLDTSA-N
SMILES： C/C=C/C=C/C(=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,16S,16aS,17S)-1-[(2E,4E)-1-オキソ-2,4-ヘキサジエニル]-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]-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]-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,16S,16aS,17S)-1-[(2E,4E)-1-Oxo-2,4-hexadienyl]-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C
  • Communesin C
CAS registry number： 648413-35-8
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