Chem
J-GLOBAL ID：201707013326801175   Nikkaji number：J3.609.982H

Kopsiyunnanine M

コプシユンナニンM
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： C41H44N4O3
Molecular formula furigana： C41-H44-N4-O3
Molecular weight： 640.828
InChI： InChI=1S/C41H44N4O3/c1-3-22-21-44-19-16-41-29-9-5-7-11-31(29)45-38(41)33(28(22)20-32(41)44)27-13-12-26-24-14-17-43(37(26)35(27)39(45)46)18-15-25-23-8-4-6-10-30(23)42-36(25)34(24)40(47)48-2/h4-12,22,24,27-28,32,34-35,37,42H,3,13-21H2,1-2H3/t22-,24+,27-,28+,32+,34+,35+,37-,41-/m1/s1
InChI key： XKZYRDPLCLJPQH-KXIFOKAKSA-N
SMILES： CC[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1C1=C3N(c2ccccc42)C(=O)[C@H]2[C@@H]1CC=C1[C@@H]3CCN(CCc4c([nH]c5ccccc45)[C@H]3C(=O)OC)[C@@H]21
Systematic name  (3)：
  • (4R)-1,4α-[エチレン(1H-インドール-3,2-ジイル)[(S)-2-オキソ-2-メトキシエタン-1,1-ジイル]]-7,8,9-[(1S,3S,4R,13S)-4,11-エチレン-13-エチル-3,1-(エピミノエタノ)-5,6-[1,3]ブタジエノ-5-ヘキセン-1,4,6-トリイル]-1,2,3,4,6,6aβ,9,10,10aβ,10bβ-デカヒドロ-1,9-フェナントロリン-10-オン
  • メチル (2S,3S,12R,16S,18S,20S,24R,25S,39S)-39-エチル-4-オキソ-1,5,15,27-テトラアザウンデカシクロ[22.12.2.215,18.15,12.02,23.03,20.06,11.012,16.026,34.028,33.019,41]ヘンテトラコンタ-6,8,10,19(41),22,26(34),28,30,32-ノナエン-25-カルボキシラート
  • methyl (2S,3S,12R,16S,18S,20S,24R,25S,39S)-39-ethyl-4-oxo-1,5,15,27-tetraazaundecacyclo[22.12.2.215,18.15,12.02,23.03,20.06,11.012,16.026,34.028,33.019,41]hentetraconta-6,8,10,19(41),22,26(34),28,30,32-nonaene-25-carboxylate
Other name (3)：
  • (4R)-1,4α-[Ethylene(1H-indole-3,2-diyl)[(S)-2-oxo-2-methoxyethane-1,1-diyl]]-7,8,9-[(1S,3S,4R,13S)-4,11-ethylene-13-ethyl-3,1-(epiminoethano)-5,6-[1,3]butadieno-5-hexene-1,4,6-triyl]-1,2,3,4,6,6aβ,9,10,10aβ,10bβ-decahydro-1,9-phenanthroline-10-one
  • コプシユンナニンM
  • Kopsiyunnanine M
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