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Acetamide, N-[3-(acetylamino)propyl]-N-[4-[15-(acetyloxy)-2-[[4-(acetyloxy)phenyl]methyl]-3,9-dioxo-4,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]butyl]-

View entire compound with spectra: 1 MS (GC)

Acetamide, N-[3-(acetylamino)propyl]-N-[4-[15-(acetyloxy)-2-[[4-(acetyloxy)phenyl]methyl]-3,9-dioxo-4,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]butyl]-
SpectraBase Compound ID q2aUsNGm8V
InChI InChI=1S/C36H48N4O8/c1-25(41)37-17-7-21-39(26(2)42)19-5-6-20-40-22-8-18-38-35(45)16-12-30-11-15-34(48-28(4)44)32(23-30)33(36(40)46)24-29-9-13-31(14-10-29)47-27(3)43/h9-11,13-15,23,33H,5-8,12,16-22,24H2,1-4H3,(H,37,41)(H,38,45)
InChIKey XODFPPLZPPTIDK-UHFFFAOYSA-N
Mol Weight 664.8 g/mol
Molecular Formula C36H48N4O8
Exact Mass 664.347215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Al3dgke4yuh
Name Acetamide, N-[3-(acetylamino)propyl]-N-[4-[15-(acetyloxy)-2-[[4-(acetyloxy)phenyl]methyl]-3,9-dioxo-4,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4-yl]butyl]-
CAS Registry Number 69721-70-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H48N4O8
InChI InChI=1S/C36H48N4O8/c1-25(41)37-17-7-21-39(26(2)42)19-5-6-20-40-22-8-18-38-35(45)16-12-30-11-15-34(48-28(4)44)32(23-30)33(36(40)46)24-29-9-13-31(14-10-29)47-27(3)43/h9-11,13-15,23,33H,5-8,12,16-22,24H2,1-4H3,(H,37,41)(H,38,45)
InChIKey XODFPPLZPPTIDK-UHFFFAOYSA-N
Molecular Weight 664.800 g/mol
SMILES N(CCCN(CCCCN1CCCNC(CCc2cc(C(C1=O)Cc1ccc(cc1)OC(C)=O)c(cc2)OC(C)=O)=O)C(C)=O)C(C)=O
SPLASH splash10-11w9-3941213000-fd40d713f0d3c29735a9
Source of Spectrum H-61-2666-0
Synonyms 4-(4-(Acetyl[3-(acetylamino)propyl]amino)butyl)-2-[4-(acetyloxy)benzyl]-3,9-dioxo-4,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-15-yl acetate N(6),N(10),O(16),O(34)-Tetraacetyl-100,11,16,17-tetrahydro-10,11-seco-16,17-secoaphelandrine Acetic acid [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] ester [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetyloxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate [4-[[9-[4-[3-acetamidopropyl(acetyl)amino]butyl]-13-acetoxy-4,10-dioxo-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] acetate [4-[[9-[4-[3-acetamidopropyl(ethanoyl)amino]butyl]-13-acetyloxy-4,10-bis(oxidanylidene)-5,9-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-11-yl]methyl]phenyl] ethanoate
Wiley ID 1413703