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21H-Biline-3,8,12,17-tetrapropanoic acid, 1,19,22,24-tetrahydro-2,7,13,18-tetramethyl-1,19-dioxo-, tetramethyl ester
SpectraBase Compound ID K9F0n3hkPwA
InChI InChI=1S/C39H46N4O10/c1-20-24(9-13-34(44)50-5)30(40-28(20)17-32-26(11-15-36(46)52-7)22(3)38(48)42-32)19-31-25(10-14-35(45)51-6)21(2)29(41-31)18-33-27(12-16-37(47)53-8)23(4)39(49)43-33/h17-19,40H,9-16H2,1-8H3,(H,42,48)(H,43,49)/b31-19-,32-17+,33-18+
InChIKey MFYXFBMJQBOVMV-IWKSLQDOSA-N
Mol Weight 730.8 g/mol
Molecular Formula C39H46N4O10
Exact Mass 730.321394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xYnXL6Oikz
Name 21H-Biline-3,8,12,17-tetrapropanoic acid, 1,19,22,24-tetrahydro-2,7,13,18-tetramethyl-1,19-dioxo-, tetramethyl ester
Alternate Name(s) 3,8,12,17-Tetra-(2-methoxycarbonylethyl)-2,7,13,18-tetramethyl-1,19-bilindione Methyl 3-[(2E)-2-({4-(3-methoxy-3-oxopropyl)-5-[(Z)-(3-(3-methoxy-3-oxopropyl)-5-{(E)-[3-(3-methoxy-3-oxopropyl)-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrol-2-yl}methylene)-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoate
CAS Registry Number 83818-90-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H46N4O10
InChI InChI=1S/C39H46N4O10/c1-20-24(9-13-34(44)50-5)30(40-28(20)17-32-26(11-15-36(46)52-7)22(3)38(48)42-32)19-31-25(10-14-35(45)51-6)21(2)29(41-31)18-33-27(12-16-37(47)53-8)23(4)39(49)43-33/h17-19,40H,9-16H2,1-8H3,(H,42,48)(H,43,49)/b31-19-,32-17+,33-18+
InChIKey MFYXFBMJQBOVMV-IWKSLQDOSA-N
Molecular Weight 730.815 g/mol
SMILES N1C(C(=C(\C1=C\C1=N\C(=C/c2c(c(c(\C=C\3C(=C(C)C(N3)=O)CCC(=O)OC)[nH]2)C)CCC(=O)OC)C(=C1C)CCC(=O)OC)CCC(=O)OC)C)=O
SPLASH splash10-03di-0039000200-a530cdcc73d2f5459fd0
Source of Spectrum F-39-1846-0
Wiley ID 1415913