Chem
J-GLOBAL ID：200907063865046431   Nikkaji number：J1.945.668D

2,3,13,14-Tetrakis[2-bromo-4-methoxy-5-(allyloxy)benzyl]-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin

2,3,13,14-テトラキス[2-ブロモ-4-メトキシ-5-(アリルオキシ)ベンジル]-6,7,9,10,17,18,20,21-オクタヒドロジベンゾ[b,k][1,4,7,10,13,16]ヘキサオキサシクロオクタデシン
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： C64H68Br4O14
Molecular formula furigana： C64-H68-BR4-O14
Molecular weight： 1380.850
InChI： InChI=1S/C64H68Br4O14/c1-9-13-75-57-33-45(49(65)37-53(57)69-5)25-41-29-61-62(30-42(41)26-46-34-58(76-14-10-2)54(70-6)38-50(46)66)80-22-18-74-20-24-82-64-32-44(28-48-36-60(78-16-12-4)56(72-8)40-52(48)68)43(31-63(64)81-23-19-73-17-21-79-61)27-47-35-59(77-15-11-3)55(71-7)39-51(47)67/h9-12,29-40H,1-4,13-28H2,5-8H3
InChI key： IOKRNGLRDNZYDS-UHFFFAOYSA-N
SMILES： COc1cc(Br)c(Cc2cc3OCCOCCOc4cc(Cc5cc(OCC=C)c(OC)cc5Br)c(Cc5cc(OCC=C)c(OC)cc5Br)cc4OCCOCCOc3cc2Cc2cc(OCC=C)c(OC)cc2Br)cc1OCC=C
Systematic name  (3)：
  • 2,3,13,14-テトラキス[2-ブロモ-4-メトキシ-5-(アリルオキシ)ベンジル]-6,7,9,10,17,18,20,21-オクタヒドロジベンゾ[b,k][1,4,7,10,13,16]ヘキサオキサシクロオクタデシン
  • 11,12,24,25-テトラキス({[2-ブロモ-4-メトキシ-5-(プロパ-2-エン-1-イルオキシ)フェニル]メチル})-2,5,8,15,18,21-ヘキサオキサトリシクロ[20.4.0.09,14]ヘキサコサ-1(22),9,11,13,23,25-ヘキサエン
  • 11,12,24,25-tetrakis({[2-bromo-4-methoxy-5-(prop-2-en-1-yloxy)phenyl]methyl})-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9,11,13,23,25-hexaene
Other name (1)：
  • 2,3,13,14-Tetrakis[2-bromo-4-methoxy-5-(allyloxy)benzyl]-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin
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