(S)-9-[3'-(3'',4''-Dimethoxyphenyl)prop-2'-enoyl]-2-phenyl-1,5,9,14-tetraazabicyclo[12.3.1]octadecan-4-one

SpectraBase Compound ID	4HlKnlAjS6q
InChI	InChI=1S/C31H42N4O4/c1-38-28-14-12-25(22-29(28)39-2)13-15-31(37)34-19-7-6-17-33-18-9-21-35(24-33)27(26-10-4-3-5-11-26)23-30(36)32-16-8-20-34/h3-5,10-15,22,27H,6-9,16-21,23-24H2,1-2H3,(H,32,36)/b15-13+/t27-/m0/s1
InChIKey	UBEKCPBSVGSVMP-RFYAYMHSSA-N Google Search
Mol Weight	534.7 g/mol
Molecular Formula	C31H42N4O4
Exact Mass	534.320606 g/mol

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SpectraBase Spectrum ID	2jmLmGYK9Yi
Name	(S)-9-[3'-(3'',4''-Dimethoxyphenyl)prop-2'-enoyl]-2-phenyl-1,5,9,14-tetraazabicyclo[12.3.1]octadecan-4-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H42N4O4
InChI	InChI=1S/C31H42N4O4/c1-38-28-14-12-25(22-29(28)39-2)13-15-31(37)34-19-7-6-17-33-18-9-21-35(24-33)27(26-10-4-3-5-11-26)23-30(36)32-16-8-20-34/h3-5,10-15,22,27H,6-9,16-21,23-24H2,1-2H3,(H,32,36)/b15-13+/t27-/m0/s1
InChIKey	UBEKCPBSVGSVMP-RFYAYMHSSA-N
Molecular Weight	534.701 g/mol
SMILES	N1CCCN(CCCCN2CN([C@@](CC1=O)(c1ccccc1)[H])CCC2)C(\C=C\c1cc(OC)c(cc1)OC)=O
SPLASH	splash10-001l-0500090000-518e0098726151e58d7e
Source of Spectrum	H-82-236-8
Synonyms	(2S)-9-[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-2-phenyl-1,5,9,14-tetraazabicyclo[12.3.1]octadecan-4-one 9-[3'-(3'',4''-Dimethoxyphenyl)prop-2'-enoyl]-2-phenyl-1,5,9,14-tetraazabicyclo[12.3.1]octadecan-4-one Isoverbametrine
Wiley ID	754412