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2-(1"'-Hexylheptyl)-9-[4'-methoxy-2'-(hydroxymethyl)-2'-(2"-methoxyethyl)butyl]-anthra[2,1,9-def : 6,5,10-d'e'f']disiquinoline-1,3,8,10-tetraone

View entire compound with spectra: 1 MS (GC)

2-(1"'-Hexylheptyl)-9-[4'-methoxy-2'-(hydroxymethyl)-2'-(2"-methoxyethyl)butyl]-anthra[2,1,9-def : 6,5,10-d'e'f']disiquinoline-1,3,8,10-tetraone
SpectraBase Compound ID 28BjXHC8A7q
InChI InChI=1S/C46H54N2O7/c1-5-7-9-11-14-29(15-12-10-8-6-2)47-42(50)34-20-16-30-32-18-22-36-41-37(23-19-33(39(32)41)31-17-21-35(43(47)51)40(34)38(30)31)45(53)48(44(36)52)46(28-49,25-27-55-4)24-13-26-54-3/h16-23,29,49H,5-15,24-28H2,1-4H3
InChIKey ZEXFBYVTKVVWFP-UHFFFAOYSA-N
Mol Weight 746.9 g/mol
Molecular Formula C46H54N2O7
Exact Mass 746.393102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HRQPBXuCGS
Name 2-(1"'-Hexylheptyl)-9-[4'-methoxy-2'-(hydroxymethyl)-2'-(2"-methoxyethyl)butyl]-anthra[2,1,9-def : 6,5,10-d'e'f']disiquinoline-1,3,8,10-tetraone
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Formula C46H54N2O7
InChI InChI=1S/C46H54N2O7/c1-5-7-9-11-14-29(15-12-10-8-6-2)47-42(50)34-20-16-30-32-18-22-36-41-37(23-19-33(39(32)41)31-17-21-35(43(47)51)40(34)38(30)31)45(53)48(44(36)52)46(28-49,25-27-55-4)24-13-26-54-3/h16-23,29,49H,5-15,24-28H2,1-4H3
InChIKey ZEXFBYVTKVVWFP-UHFFFAOYSA-N
Molecular Weight 746.945 g/mol
SMILES OCC(N1C(c2ccc3c4c2c(C1=O)ccc4c1c2c4c(C(=O)N(C(c4cc1)=O)C(CCCCCC)CCCCCC)ccc32)=O)(CCOC)CCCOC
SPLASH splash10-0hmo-0006320900-594f631d1fb8227852c3
Source of Spectrum H-2005-4318-3
Wiley ID 1587825