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21H-Biline-8,12-dipropanoic acid, 2-ethenyl-17-ethyl-1,4,5,15,16,19,23,24-octahydro-3,7,13,18-tetramethyl-1,19-dioxo-, dimethyl ester, monohydrochloride, (R*,S*)-(.+-.)-

View entire compound with spectra: 2 MS (GC)

21H-Biline-8,12-dipropanoic acid, 2-ethenyl-17-ethyl-1,4,5,15,16,19,23,24-octahydro-3,7,13,18-tetramethyl-1,19-dioxo-, dimethyl ester, monohydrochloride, (R*,S*)-(.+-.)-
SpectraBase Compound ID 6La4gdoT8Ju
InChI InChI=1S/C35H44N4O6/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/h10,17,28-29,37H,2,9,11-16H2,1,3-8H3,(H,38,43)(H,39,42)/b30-17-
InChIKey OOFWMYZWSASSGN-LQNQUEJISA-N
Mol Weight 616.8 g/mol
Molecular Formula C35H44N4O6
Exact Mass 616.326085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39ztEyGCshp
Name 21H-Biline-8,12-dipropanoic acid, 2-ethenyl-17-ethyl-1,4,5,15,16,19,23,24-octahydro-3,7,13,18-tetramethyl-1,19-dioxo-, dimethyl ester, monohydrochloride, (R*,S*)-(.+-.)-
CAS Registry Number 66385-52-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H44N4O6
InChI InChI=1S/C35H44N4O6/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/h10,17,28-29,37H,2,9,11-16H2,1,3-8H3,(H,38,43)(H,39,42)/b30-17-
InChIKey OOFWMYZWSASSGN-LQNQUEJISA-N
Molecular Weight 616.759 g/mol
SMILES N1C(CC2=N\C(=C/c3c(c(c(CC4C(=C(C(N4)=O)C)CC)[nH]3)C)CCC(=O)OC)C(=C2C)CCC(=O)OC)C(=C(C=C)C1=O)C
SPLASH splash10-0f89-0908000000-814e18492bc904c17a85
Source of Spectrum K-111-501-0
Synonyms 21H-Biline-8,12-dipropanoic acid, 2-ethenyl-17-ethyl-1,4,5,15,16,19,23,24-octahydro-3,7,13,18-tetramethyl-1,19-dioxo-, dimethyl ester, monohydrochloride, (R*,R*)-(.+-.)- 21H-biline-8,12-dipropanoic acid, 2-ethenyl-17-ethyl-1,4,5,15,16,19,23,24-octahydro-3,7,13,18-tetramethyl-1,19-dioxo-, dimethyl ester, Dimethyl ester of (4R,16R)-3-ethyl-2,7,13,17-tetramethyl-1,19-dioxo-18-vinyl-1,4,5,15,16,19,21,24-octahydro-22H-bilin-8,12-dipropionic acid Dimethyl ester of (14R,16S)-3-ethyl-2,7,13,17-tetramethyl-1,19-dioxo-18-vinyl-1,4,5,15,16,19,21,24-octahydro-22H-bilin-8,12-dipropionic acid Methyl 3-[5-[(3-ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-2-((Z)-{3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-2,5-dihydro-1H-pyrrol-2-yl)methyl]-2H-pyrrol-2-ylidene}methyl)-4-methyl-1H-pyrrol-3-yl]propanoate
Wiley ID 1411326