Chem
J-GLOBAL ID：201607014237058557   Nikkaji number：J3.482.126G

Miuraenamide A

ミウラエナミド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： C34H42BrN3O7
Molecular formula furigana： C34-H42-BR-N3-O7
Molecular weight： 684.628
InChI： InChI=1S/C34H42BrN3O7/c1-21-11-9-10-14-29(40)36-23(3)33(42)38(4)27(20-24-17-18-28(39)26(35)19-24)32(41)37-30(34(43)45-22(2)16-15-21)31(44-5)25-12-7-6-8-13-25/h6-8,11-13,17-19,22-23,27,39H,9-10,14-16,20H2,1-5H3,(H,36,40)(H,37,41)/b21-11+,31-30+/t22-,23-,27+/m0/s1
InChI key： LOOHMHDNJMUEAT-YWIIFKBDSA-N
SMILES： CO/C(=C\1/NC(=O)[C@@H](Cc2ccc(O)c(Br)c2)N(C)C(=O)[C@H](C)NC(=O)CCC/C=C(\C)/CC[C@H](C)OC1=O)/c1ccccc1
Systematic name  (3)：
  • (15E)-3-[(E)-α-メトキシベンジリデン]-6β-(3-ブロモ-4-ヒドロキシベンジル)-7,9α,16,19α-テトラメチル-1-オキサ-4,7,10-トリアザシクロノナデカ-15-エン-2,5,8,11-テトラオン
  • (3E,6R,9S,15E,19S)-6-[(3-ブロモ-4-ヒドロキシフェニル)メチル]-3-[メトキシ(フェニル)メチリデン]-7,9,16,19-テトラメチル-1-オキサ-4,7,10-トリアザシクロノナデカ-15-エン-2,5,8,11-テトラオン
  • (3E,6R,9S,15E,19S)-6-[(3-bromo-4-hydroxyphenyl)methyl]-3-[methoxy(phenyl)methylidene]-7,9,16,19-tetramethyl-1-oxa-4,7,10-triazacyclononadec-15-ene-2,5,8,11-tetrone
Other name (3)：
  • (15E)-3-[(E)-α-Methoxybenzylidene]-6β-(3-bromo-4-hydroxybenzyl)-7,9α,16,19α-tetramethyl-1-oxa-4,7,10-triazacyclononadeca-15-ene-2,5,8,11-tetraone
  • ミウラエナミドA
  • Miuraenamide A
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