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1,5,9,13-Tetraazacycloheptadecan-6-one, 9,13-diacetyl-1-(1-oxo-3-phenyl-2-propenyl)-8-phenyl-, [S-(E)]-
SpectraBase Compound ID J1QKHVP11aP
InChI InChI=1S/C32H42N4O4/c1-26(37)34-20-9-10-21-35(32(40)18-17-28-13-5-3-6-14-28)22-11-19-33-31(39)25-30(29-15-7-4-8-16-29)36(27(2)38)24-12-23-34/h3-8,13-18,30H,9-12,19-25H2,1-2H3,(H,33,39)/b18-17+/t30-/m0/s1
InChIKey BKENNASXWWIJRN-AOKSPJGYSA-N
Mol Weight 546.7 g/mol
Molecular Formula C32H42N4O4
Exact Mass 546.320606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7fvenM0Mk9
Name 1,5,9,13-Tetraazacycloheptadecan-6-one, 9,13-diacetyl-1-(1-oxo-3-phenyl-2-propenyl)-8-phenyl-, [S-(E)]-
Alternate Name(s) (8S)-9,13-diacetyl-8-phenyl-1-[(2E)-3-phenyl-2-propenoyl]-1,5,9,13-tetraazacycloheptadecan-6-one 9-Acetylverbascenin 9-Acetylverbascenine
CAS Registry Number 85559-66-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H42N4O4
InChI InChI=1S/C32H42N4O4/c1-26(37)34-20-9-10-21-35(32(40)18-17-28-13-5-3-6-14-28)22-11-19-33-31(39)25-30(29-15-7-4-8-16-29)36(27(2)38)24-12-23-34/h3-8,13-18,30H,9-12,19-25H2,1-2H3,(H,33,39)/b18-17+/t30-/m0/s1
InChIKey BKENNASXWWIJRN-AOKSPJGYSA-N
Molecular Weight 546.712 g/mol
SMILES N1CCCN(CCCCN(CCCN([C@@](CC1=O)(c1ccccc1)[H])C(=O)C)C(=O)C)C(\C=C\c1ccccc1)=O
SPLASH splash10-0f89-9800110000-2a3634846411211bd5f6
Source of Spectrum H-65-2545-0
Wiley ID 1405276