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(1S,3E,7R,11R,14S,17S,18R,19S)-7-(3-chloro-4-methoxy-benzyl)-18-hydroxy-14-isobutyl-11,19-dimethyl-17-phenyl-13,16-dioxa-6,9,20-triazabicyclo[13.4.1]eicosa-3,15(20)-diene-5,8,12-trione

View entire compound with spectra: 1 MS (GC)

(1S,3E,7R,11R,14S,17S,18R,19S)-7-(3-chloro-4-methoxy-benzyl)-18-hydroxy-14-isobutyl-11,19-dimethyl-17-phenyl-13,16-dioxa-6,9,20-triazabicyclo[13.4.1]eicosa-3,15(20)-diene-5,8,12-trione
SpectraBase Compound ID 3Jgwbh85LWO
InChI InChI=1S/C35H44ClN3O7/c1-20(2)16-29-34-39-26(22(4)31(41)32(46-34)24-10-7-6-8-11-24)12-9-13-30(40)38-27(33(42)37-19-21(3)35(43)45-29)18-23-14-15-28(44-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32,41H,12,16,18-19H2,1-5H3,(H,37,42)(H,38,40)/b13-9+/t21-,22+,26+,27-,29+,31-,32+/m1/s1
InChIKey APUYYDMPDPOBEU-VGUOJPIZSA-N
Mol Weight 654.2 g/mol
Molecular Formula C35H44ClN3O7
Exact Mass 653.286778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOO4kT5qVsJ
Name (1S,3E,7R,11R,14S,17S,18R,19S)-7-(3-chloro-4-methoxy-benzyl)-18-hydroxy-14-isobutyl-11,19-dimethyl-17-phenyl-13,16-dioxa-6,9,20-triazabicyclo[13.4.1]eicosa-3,15(20)-diene-5,8,12-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H44ClN3O7
InChI InChI=1S/C35H44ClN3O7/c1-20(2)16-29-34-39-26(22(4)31(41)32(46-34)24-10-7-6-8-11-24)12-9-13-30(40)38-27(33(42)37-19-21(3)35(43)45-29)18-23-14-15-28(44-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32,41H,12,16,18-19H2,1-5H3,(H,37,42)(H,38,40)/b13-9+/t21-,22+,26+,27-,29+,31-,32+/m1/s1
InChIKey APUYYDMPDPOBEU-VGUOJPIZSA-N
Molecular Weight 654.204 g/mol
SMILES O[C@@]1([C@]([C@]2(N=C([C@@](OC([C@@](CNC([C@@](Cc3cc(Cl)c(cc3)OC)(NC(\C=C\C2)=O)[H])=O)(C)[H])=O)(CC(C)C)[H])O[C@]1(c1ccccc1)[H])[H])(C)[H])[H]
SPLASH splash10-0a4i-0920000000-1c16ee4ec97b09e9b2c7
Source of Spectrum F-56-3350-28
Synonyms (1S,3E,7R,11R,14S,17S,18R,19S)-7-[(3-chloranyl-4-methoxy-phenyl)methyl]-11,19-dimethyl-14-(2-methylpropyl)-18-oxidanyl-17-phenyl-13,16-dioxa-6,9,20-triazabicyclo[13.4.1]icosa-3,15(20)-diene-5,8,12-trione (1S,3E,7R,11R,14S,17S,18R,19S)-7-[(3-chloro-4-methoxy-phenyl)methyl]-18-hydroxy-14-isobutyl-11,19-dimethyl-17-phenyl-13,16-dioxa-6,9,20-triazabicyclo[13.4.1]icosa-3,15(20)-diene-5,8,12-trione (1S,3E,7R,11R,14S,17S,18R,19S)-7-[(3-chloro-4-methoxyphenyl)methyl]-18-hydroxy-11,19-dimethyl-14-(2-methylpropyl)-17-phenyl-13,16-dioxa-6,9,20-triazabicyclo[13.4.1]eicosa-3,15(20)-diene-5,8,12-trione (1S,3E,7R,11R,14S,17S,18R,19S)-7-[(3-chloro-4-methoxyphenyl)methyl]-18-hydroxy-11,19-dimethyl-14-(2-methylpropyl)-17-phenyl-13,16-dioxa-6,9,20-triazabicyclo[13.4.1]icosa-3,15(20)-diene-5,8,12-trione
Wiley ID 857077