Chem
J-GLOBAL ID：200907005841455004
Nikkaji number：J1.272.322I
2,5,8,11,14,27,30,33,36,39-Decaoxa-19,22-diazatetracyclo[38.2.2.116,20.121,25]hexatetracontane-1(42),16(46),17,19,21(45),22,24,41,43-nonaene
2,5,8,11,14,27,30,33,36,39-デカオキサ-19,22-ジアザテトラシクロ[38.2.2.116,20.121,25]ヘキサテトラコンタ-16,18,20(46),21(45),22,24,40,41,43-ノナエン
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
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
Molecular formula： C34H46N2O10
Molecular formula furigana： C34-H46-N2-O10
Molecular weight： 642.746
InChI：
InChI=1S/C34H46N2O10/c1-2-32-4-3-31(1)45-23-21-41-15-13-37-9-11-39-17-19-43-27-29-5-7-35-33(25-29)34-26-30(6-8-36-34)28-44-20-18-40-12-10-38-14-16-42-22-24-46-32/h1-3,5-8,25-26,31H,9-24,27-28H2
InChI key：
BYMPTPQKYVTDBF-UHFFFAOYSA-N
SMILES：
C1COCCOCc2ccnc(c2)c2cc(COCCOCCOCCOCCOC3=C=CC(OCCOCCO1)C=C3)ccn2
Systematic name (3)：
- 2,5,8,11,14,27,30,33,36,39-デカオキサ-19,22-ジアザテトラシクロ[38.2.2.116,20.121,25]ヘキサテトラコンタン-1(42),16(46),17,19,21(45),22,24,41,43-ノナエン
- 2,5,8,11,14,27,30,33,36,39-デカオキサ-19,22-ジアザテトラシクロ[38.2.2.116,20.121,25]ヘキサテトラコンタ-16,18,20(46),21(45),22,24,40,41,43-ノナエン
- 2,5,8,11,14,27,30,33,36,39-decaoxa-19,22-diazatetracyclo[38.2.2.116,20.121,25]hexatetraconta-16,18,20(46),21(45),22,24,40,41,43-nonaene
- 2,5,8,11,14,27,30,33,36,39-Decaoxa-19,22-diazatetracyclo[38.2.2.116,20.121,25]hexatetracontane-1(42),16(46),17,19,21(45),22,24,41,43-nonaene
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