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1,5,9,13-Tetraazacycloheptadecan-6-one, 9,13-diacetyl-1-[3-[4-(acetyloxy)phenyl]-1-oxopropyl]-8-(4-methoxyphenyl)-, (S)-
SpectraBase Compound ID IiBCKbxxCyc
InChI InChI=1S/C35H48N4O7/c1-26(40)37-20-5-6-21-38(35(44)18-11-29-9-14-32(15-10-29)46-28(3)42)22-7-19-36-34(43)25-33(39(27(2)41)24-8-23-37)30-12-16-31(45-4)17-13-30/h9-10,12-17,33H,5-8,11,18-25H2,1-4H3,(H,36,43)
InChIKey KUCMPJJAEDWUMS-UHFFFAOYSA-N
Mol Weight 636.8 g/mol
Molecular Formula C35H48N4O7
Exact Mass 636.3523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IDyCJ9tr2F
Name 1,5,9,13-Tetraazacycloheptadecan-6-one, 9,13-diacetyl-1-[3-[4-(acetyloxy)phenyl]-1-oxopropyl]-8-(4-methoxyphenyl)-, (S)-
Alternate Name(s) 4-(3-[9,13-Diacetyl-8-(4-methoxyphenyl)-6-oxo-1,5,9,13-tetraazacycloheptadecan-1-yl]-3-oxopropyl)phenyl acetate Acetic acid [4-[3-[9,13-diacetyl-8-(4-methoxyphenyl)-6-oxo-1,5,9,13-tetrazacycloheptadec-1-yl]-3-oxopropyl]phenyl] ester [4-[3-[9,13-diacetyl-8-(4-methoxyphenyl)-6-oxo-1,5,9,13-tetrazacycloheptadec-1-yl]-3-oxopropyl]phenyl] acetate [4-[3-[9,13-diacetyl-8-(4-methoxyphenyl)-6-oxo-1,5,9,13-tetrazacycloheptadec-1-yl]-3-oxo-propyl]phenyl] acetate [4-[3-[9,13-diethanoyl-8-(4-methoxyphenyl)-6-oxidanylidene-1,5,9,13-tetrazacycloheptadec-1-yl]-3-oxidanylidene-propyl]phenyl] ethanoate
CAS Registry Number 42919-92-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H48N4O7
InChI InChI=1S/C35H48N4O7/c1-26(40)37-20-5-6-21-38(35(44)18-11-29-9-14-32(15-10-29)46-28(3)42)22-7-19-36-34(43)25-33(39(27(2)41)24-8-23-37)30-12-16-31(45-4)17-13-30/h9-10,12-17,33H,5-8,11,18-25H2,1-4H3,(H,36,43)
InChIKey KUCMPJJAEDWUMS-UHFFFAOYSA-N
Molecular Weight 636.790 g/mol
SMILES N1C(CC(N(CCCN(CCCCN(CCC1)C(CCc1ccc(cc1)OC(C)=O)=O)C(C)=O)C(C)=O)c1ccc(cc1)OC)=O
SPLASH splash10-08fr-6920000000-f4f3e181f7b4d2c5c917
Source of Spectrum H-56-1281-5
Wiley ID 1412393