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21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, bis(1-methylethyl) ester
SpectraBase Compound ID 9gGqtVc7VeG
InChI InChI=1S/C39H48N4O6/c1-11-26-25(10)38(46)43-33(26)18-31-24(9)29(14-16-37(45)49-21(5)6)35(41-31)19-34-28(13-15-36(44)48-20(3)4)23(8)30(40-34)17-32-22(7)27(12-2)39(47)42-32/h11-12,17-18,20-21,40-41H,1-2,13-16,19H2,3-10H3,(H,42,47)(H,43,46)/b32-17-,33-18-
InChIKey SJQJLURLSBUTHC-OKEIQFEWSA-N
Mol Weight 668.8 g/mol
Molecular Formula C39H48N4O6
Exact Mass 668.357385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJNQvPtvvUn
Name 21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, bis(1-methylethyl) ester
Alternate Name(s) Isopropyl 3-(2-((3-(3-isopropoxy-3-oxopropyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl)methyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro 3-[2-[[3-(3-isopropoxy-3-keto-propyl)-5-[(Z)-(5-keto-4-methyl-3-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(5-keto-3-methyl-4-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid isopropyl ester 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxo-2-pyrrolylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-3-(3-oxo-3-propan-2-yloxypropyl)-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid propan-2-yl ester isopropyl 3-[2-[[3-(3-isopropoxy-3-oxo-propyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoate Propan-2-yl 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-(3-oxidanylidene-3-propan-2-yloxy-propyl)-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate Propan-2-yl 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-(3-oxo-3-propan-2-yloxypropyl)-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
CAS Registry Number 50865-93-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H48N4O6
InChI InChI=1S/C39H48N4O6/c1-11-26-25(10)38(46)43-33(26)18-31-24(9)29(14-16-37(45)49-21(5)6)35(41-31)19-34-28(13-15-36(44)48-20(3)4)23(8)30(40-34)17-32-22(7)27(12-2)39(47)42-32/h11-12,17-18,20-21,40-41H,1-2,13-16,19H2,3-10H3,(H,42,47)(H,43,46)/b32-17-,33-18-
InChIKey SJQJLURLSBUTHC-OKEIQFEWSA-N
Molecular Weight 668.835 g/mol
SMILES [nH]1c(c(c(c1\C=C/1NC(C(=C1C=C)C)=O)C)CCC(=O)OC(C)C)Cc1c(CCC(OC(C)C)=O)c(c([nH]1)\C=C/1NC(C(=C1C)C=C)=O)C
SPLASH splash10-004l-0095001000-424d9744d264bca20b90
Source of Spectrum AK-133-497-1
Wiley ID 1413859