Chem
J-GLOBAL ID：200907057975484981   Nikkaji number：J2.494.871D

2,7,12,17,22,27-Hexakis(pentafluorophenyl)-32,35-bis(1-acetyl-2-hydroxy-1-propenyl)-10,25,31,33,34,36-hexaazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),11,13(34),14,16,18,20,22,26(32),27,29-pentadecaene-9,24-dione

2,7,12,17,22,27-ヘキサキス(ペンタフルオロフェニル)-32,35-ビス(1-アセチル-2-ヒドロキシ-1-プロペニル)-10,25,31,33,34,36-ヘキサアザヘプタシクロ[26.2.1.13,6.18,11.113,16.118,21.123,26]ヘキサトリアコンタ-1(31),2,4,6,8(35),11,13(34),14,16,18,20,22,26(32),27,29-ペンタデカエン-9,24-ジオン
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： C76H26F30N6O6
Molecular formula furigana： C76-H26-F30-N6-O6
Molecular weight： 1689.032
InChI： InChI=1S/C76H26F30N6O6/c1-13(113)25(14(2)114)33-35-29(39-47(81)59(93)69(103)60(94)48(39)82)21-9-5-17(107-21)27(37-43(77)55(89)67(101)56(90)44(37)78)20-8-12-24(110-20)32(42-53(87)65(99)72(106)66(100)54(42)88)74-34(26(15(3)115)16(4)116)36(76(118)112-74)30(40-49(83)61(95)70(104)62(96)50(40)84)22-10-6-18(108-22)28(38-45(79)57(91)68(102)58(92)46(38)80)19-7-11-23(109-19)31(73(33)111-75(35)117)41-51(85)63(97)71(105)64(98)52(41)86/h5-12,107-108,113,115H,1-4H3,(H,111,117)(H,112,118)/b25-13?,26-15?,27-17+,27-20-,28-18+,28-19+,29-21+,30-22+,31-23-,32-24+,35-29-,36-30-,73-31-,74-32-
InChI key： WAAYLTXQMBURFJ-UGOUYWERSA-N
SMILES： CC(=C(C(=O)C)C1=C2NC(=O)/C/1=C(\c1c(F)c(F)c(F)c(F)c1F)/c1ccc([nH]1)/C(=C\1/C=CC(=N1)/C(=C\1/NC(=O)C(=C1C(=C(C)O)C(=O)C)/C(=c\1/cc/c(=C(\c3c(F)c(F)c(F)c(F)c3F)/C3=N/C(=C/2\c2c(F)c(F)c(F)c(F)c2F)/C=C3)/[nH]1)/c1c(F)c(F)c(F)c(F)c1F)/c1c(F)c(F)c(F)c(F)c1F)/c1c(F)c(F)c(F)c(F)c1F)O
Systematic name  (3)：
  • 2,7,12,17,22,27-ヘキサキス(ペンタフルオロフェニル)-32,35-ビス(1-アセチル-2-ヒドロキシ-1-プロペニル)-10,25,31,33,34,36-ヘキサアザヘプタシクロ[26.2.1.13,6.18,11.113,16.118,21.123,26]ヘキサトリアコンタ-1(31),2,4,6,8(35),11,13(34),14,16,18,20,22,26(32),27,29-ペンタデカエン-9,24-ジオン
  • 33,36-ビス(2-ヒドロキシ-4-オキソペンタ-2-エン-3-イル)-2,7,12,17,22,27-ヘキサキス(2,3,4,5,6-ペンタフルオロフェニル)-4,19,31,32,34,35-ヘキサアザヘプタシクロ[26.2.1.13,6.18,11.113,16.118,21.123,26]ヘキサトリアコンタ-1,3(36),6,8,10,12,14,16(34),17,21(33),22,24,26,28(31),29-ペンタデカエン-5,20-ジオン
  • 33,36-bis(2-hydroxy-4-oxopent-2-en-3-yl)-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-4,19,31,32,34,35-hexaazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1,3(36),6,8,10,12,14,16(34),17,21(33),22,24,26,28(31),29-pentadecaene-5,20-dione
Other name (1)：
  • 2,7,12,17,22,27-Hexakis(pentafluorophenyl)-32,35-bis(1-acetyl-2-hydroxy-1-propenyl)-10,25,31,33,34,36-hexaazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),11,13(34),14,16,18,20,22,26(32),27,29-pentadecaene-9,24-dione
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