Chem
J-GLOBAL ID：200907078683089183   Nikkaji number：J2.007.245H

Communesin D

コンムネシンD
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： C32H34N4O3
Molecular formula furigana： C32-H34-N4-O3
Molecular weight： 522.649
InChI： InChI=1S/C32H34N4O3/c1-4-5-6-14-24(38)34-17-15-31-21-11-7-8-12-22(21)33-28-32(31)16-18-35(29(31)34)26(27-30(2,3)39-27)20-10-9-13-23(25(20)32)36(28)19-37/h4-14,19,26-29,33H,15-18H2,1-3H3/b5-4+,14-6+/t26-,27+,28+,29+,31-,32-/m0/s1
InChI key： BKJFWWFPUSKVTE-NSUYYRTMSA-N
SMILES： C/C=C/C=C/C(=O)N1CC[C@]23[C@H]1N1CC[C@@]42[C@H](Nc2ccccc32)N(C=O)c2cccc([C@H]1[C@H]1OC1(C)C)c42
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-9-カルボアルデヒド
  • (2S,6R,14R,22R,25S)-25-[(2R)-3,3-ジメチルオキシラン-2-イル]-3-[(2E,4E)-ヘキサ-2,4-ジエノイル]-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-15-カルバルデヒド
  • (2S,6R,14R,22R,25S)-25-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(2E,4E)-hexa-2,4-dienoyl]-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-hexaene-15-carbaldehyde
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-9-carbaldehyde
  • コンムネシンD
  • Communesin D
CAS registry number： 648413-36-9
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