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Dimethyl 1,19,21,24-tetrahydro-3,7,8,12,13,17-hexamethyl-1,19-dioxo-22H-bilin-2,18-dipropanoate
SpectraBase Compound ID B37E0eiqutH
InChI InChI=1S/C33H38N4O6/c1-16-18(3)26(14-28-20(5)22(32(40)36-28)9-11-30(38)42-7)34-24(16)13-25-17(2)19(4)27(35-25)15-29-21(6)23(33(41)37-29)10-12-31(39)43-8/h13-15,34H,9-12H2,1-8H3,(H,36,40)(H,37,41)/b25-13-,28-14-,29-15-
InChIKey WCVDYUYXXXNAGU-ONQSVXIYSA-N
Mol Weight 586.7 g/mol
Molecular Formula C33H38N4O6
Exact Mass 586.279135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9g7iGAbZey
Name Dimethyl 1,19,21,24-tetrahydro-3,7,8,12,13,17-hexamethyl-1,19-dioxo-22H-bilin-2,18-dipropanoate
Alternate Name(s) methyl 3-[(2Z)-2-({5-[(Z)-(5-{(Z)-[4-(3-methoxy-3-oxopropyl)-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-3,4-dimethyl-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl}methylene)-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-4-yl]propanoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H38N4O6
InChI InChI=1S/C33H38N4O6/c1-16-18(3)26(14-28-20(5)22(32(40)36-28)9-11-30(38)42-7)34-24(16)13-25-17(2)19(4)27(35-25)15-29-21(6)23(33(41)37-29)10-12-31(39)43-8/h13-15,34H,9-12H2,1-8H3,(H,36,40)(H,37,41)/b25-13-,28-14-,29-15-
InChIKey WCVDYUYXXXNAGU-ONQSVXIYSA-N
Molecular Weight 586.689 g/mol
SMILES N1\C(=C/C2=N\C(=C/c3c(c(c(\C=C/4C(=C(C(N4)=O)CCC(=O)OC)C)[nH]3)C)C)C(=C2C)C)C(=C(CCC(=O)OC)C1=O)C
SPLASH splash10-000i-0020090000-3f75df7ee2bb5dc24995
Source of Spectrum H-77-1848-7
Wiley ID 1409049