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2akEiOkkhmm
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2akEiOkkhmm
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21H-Biline-8,12-dipropanoic acid, 18-ethenyl-3-ethylidene-1,2,3,19,23,24-hexahydro-2,7,13,17-tetramethy l-1,19-dioxo-, dimethyl ester, (2R,3E)-
SpectraBase Compound ID BXiwu83hX0V
InChI InChI=1S/C35H40N4O6/c1-9-22-21(6)34(42)39-29(22)16-27-20(5)25(12-14-33(41)45-8)31(37-27)17-30-24(11-13-32(40)44-7)19(4)26(36-30)15-28-18(3)23(10-2)35(43)38-28/h9-10,15-17,21,36H,2,11-14H2,1,3-8H3,(H,38,43)(H,39,42)/b22-9+,28-15-,29-16-,31-17+
InChIKey KHPNTYUHYRYJBP-JYASXEGFSA-N
Mol Weight 612.7 g/mol
Molecular Formula C35H40N4O6
Exact Mass 612.294785 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2akEiOkkhmm
Name 21H-Biline-8,12-dipropanoic acid, 18-ethenyl-3-ethylidene-1,2,3,19,23,24-hexahydro-2,7,13,17-tetramethy l-1,19-dioxo-, dimethyl ester, (2R,3E)-
CAS Registry Number 73948-32-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H40N4O6
InChI InChI=1S/C35H40N4O6/c1-9-22-21(6)34(42)39-29(22)16-27-20(5)25(12-14-33(41)45-8)31(37-27)17-30-24(11-13-32(40)44-7)19(4)26(36-30)15-28-18(3)23(10-2)35(43)38-28/h9-10,15-17,21,36H,2,11-14H2,1,3-8H3,(H,38,43)(H,39,42)/b22-9+,28-15-,29-16-,31-17+
InChIKey KHPNTYUHYRYJBP-JYASXEGFSA-N
Molecular Weight 612.727 g/mol
SMILES N1C(C(\C(\C1=C/C1=N\C(=C\c2c(c(c(\C=C/3C(=C(C(N3)=O)C=C)C)[nH]2)C)CCC(=O)OC)C(=C1C)CCC(=O)OC)=C\C)C)=O
SPLASH splash10-0ufr-0009002000-1f2f7bd1cf872ab964dc
Source of Spectrum K-113-1609-0
Synonyms Methyl 3-[(2E)-5-{(Z)-[(3E)-3-ethylidene-4-methyl-5-oxopyrrolidinylidene]methyl}-2-({3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl}methylene)-4-methyl-2H-pyrrol-3-yl]propanoate Methyl ester of 3(E)-ethylidene-1,2,3,19,21,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-18-vinyl-22H-bilin-8,12-dipropionic acid
Wiley ID 1411068
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