Chem
J-GLOBAL ID:200907026961015951   Nikkaji number:J2.480.236A

5,11,17,23-Tetrabromo-24,4:6,10:12,16:18,22-tetrakis(methylenedioxy)-2,8,14,20-tetrakis(3-azidopropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

5,11,17,23-テトラブロモ-24,4:6,10:12,16:18,22-テトラキス(メチレンジオキシ)-2,8,14,20-テトラキス(3-アジドプロピル)ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
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: C44H40Br4N4[N-]4[N+]4O8
Molecular formula furigana: C44-H40-BR4-N12-O8
Molecular weight: 1184.496
InChI: InChI=1S/C44H40Br4N12O8/c45-33-37-25-13-27-22(6-2-10-54-58-50)29-15-31-24(8-4-12-56-60-52)32-16-30-23(7-3-11-55-59-51)28-14-26(21(25)5-1-9-53-57-49)38(62-17-61-37)34(46)40(28)64-19-66-42(30)36(48)44(32)68-20-67-43(31)35(47)41(29)65-18-63-39(27)33/h13-16,21-24H,1-12,17-20H2
InChI key: OIBUBHOLZAIHJM-UHFFFAOYSA-N
SMILES: Brc1c2OCOc3c(Br)c4OCOc5c(Br)c6OCOc7c(Br)c8OCOc1c1cc2C(CCCN=[N+]=[N-])c3cc4C(CCCN=[N+]=[N-])c5cc6C(CCCN=[N+]=[N-])c7cc8C1CCCN=[N+]=[N-]
Systematic name  (3):
  • 5,11,17,23-テトラブロモ-24,4:6,10:12,16:18,22-テトラキス(メチレンジオキシ)-2,8,14,20-テトラキス(3-アジドプロピル)ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
  • 25,29,33,37-テトラキス(3-アジドプロピル)-6,12,18,39-テトラブロモ-2,4,8,10,14,16,20,22-オクタオキサノナシクロ[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]テトラコンタ-1(39),5,7(34),11,13(30),17,19(26),23,27,31,35,38(40)-ドデカエン
  • 25,29,33,37-tetrakis(3-azidopropyl)-6,12,18,39-tetrabromo-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17,19(26),23,27,31,35,38(40)-dodecaene
Other name (1):
  • 5,11,17,23-Tetrabromo-24,4:6,10:12,16:18,22-tetrakis(methylenedioxy)-2,8,14,20-tetrakis(3-azidopropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
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