Chem
J-GLOBAL ID：200907077078710546   Nikkaji number：J1.815.537K

4,5-Dioxo-1,4,5,6,10,20-hexahydro-31,32-didehydro-132α-(methoxycarbonyl)-4,5-secophytochlorin phytyl ester

4,5-ジオキソ-1,4,5,6,10,20-ヘキサヒドロ-31,32-ジデヒドロ-132α-(メトキシカルボニル)-4,5-セコフィトクロリンフィチル
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： C55H78N4O7
Molecular formula furigana： C55-H78-N4-O7
Molecular weight： 907.250
InChI： InChI=1S/C55H78N4O7/c1-13-39-35(8)46(30-60)56-45(39)29-44-38(11)48-52(58-44)49(50(53(48)62)55(64)65-12)51-41(37(10)42(57-51)28-43-36(9)40(14-2)54(63)59-43)24-25-47(61)66-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4/h14,26,30-33,37,41,43,46,50,58H,2,13,15-25,27-29H2,1,3-12H3,(H,59,63)/b34-26+,51-49?/t32-,33-,37+,41+,43?,46?,50-/m1/s1
InChI key： FQNUVCKDSFSAGH-JELJYHLXSA-N
SMILES： CCC1=C(C)C(C=O)N=C1Cc1[nH]c2C(=C3N=C(CC4NC(=O)C(=C4C)C=C)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H](C(=O)OC)C(=O)c2c1C
Systematic name  (3)：
  • 4,5-ジオキソ-1,4,5,6,10,20-ヘキサヒドロ-31,32-ジデヒドロ-132α-(メトキシカルボニル)-4,5-セコフィトクロリンフィチル
  • メチル (5R)-6-[(3S,4S)-5-[(4-エテニル-3-メチル-5-オキソ-2,5-ジヒドロ-1H-ピロール-2-イル)メチル]-4-メチル-3-(3-オキソ-3-{[(2E,7R,11R)-3,7,11,15-テトラメチルヘキサデカ-2-エン-1-イル]オキシ}プロピル)-3,4-ジヒドロ-2H-ピロール-2-イリデン]-2-[(4-エチル-2-ホルミル-3-メチル-2H-ピロール-5-イル)メチル]-3-メチル-4-オキソ-1H,4H,5H,6H-シクロペンタ[b]ピロール-5-カルボキシラート
  • methyl (5R)-6-[(3S,4S)-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-3,4-dihydro-2H-pyrrol-2-ylidene]-2-[(4-ethyl-2-formyl-3-methyl-2H-pyrrol-5-yl)methyl]-3-methyl-4-oxo-1H,4H,5H,6H-cyclopenta[b]pyrrole-5-carboxylate
Other name (1)：
  • 4,5-Dioxo-1,4,5,6,10,20-hexahydro-31,32-didehydro-132α-(methoxycarbonyl)-4,5-secophytochlorin phytyl ester
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