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6-Benzyl-9-sec-butyl-12-(dimethylamino)-15-methoxy-4,7,10-triazabicyclo[12.3.1]octadeca-1(18),2,14,16-tetraene-5,8,11-trione
SpectraBase Compound ID HS5ONHWeaTY
InChI InChI=1S/C29H38N4O4/c1-6-19(2)26-29(36)31-23(17-20-10-8-7-9-11-20)27(34)30-15-14-21-12-13-25(37-5)22(16-21)18-24(33(3)4)28(35)32-26/h7-16,19,23-24,26H,6,17-18H2,1-5H3,(H,30,34)(H,31,36)(H,32,35)/b15-14-
InChIKey ZGVZGFFCCVLGFC-PFONDFGASA-N
Mol Weight 506.6 g/mol
Molecular Formula C29H38N4O4
Exact Mass 506.289306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wOTmqmq92
Name 6-Benzyl-9-sec-butyl-12-(dimethylamino)-15-methoxy-4,7,10-triazabicyclo[12.3.1]octadeca-1(18),2,14,16-tetraene-5,8,11-trione
CAS Registry Number 38840-25-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38N4O4
InChI InChI=1S/C29H38N4O4/c1-6-19(2)26-29(36)31-23(17-20-10-8-7-9-11-20)27(34)30-15-14-21-12-13-25(37-5)22(16-21)18-24(33(3)4)28(35)32-26/h7-16,19,23-24,26H,6,17-18H2,1-5H3,(H,30,34)(H,31,36)(H,32,35)/b15-14-
InChIKey ZGVZGFFCCVLGFC-PFONDFGASA-N
Molecular Weight 506.647 g/mol
SMILES N1C(C(Cc2c(ccc(\C=C/NC(=O)C(Cc3ccccc3)NC(C1C(CC)C)=O)c2)OC)N(C)C)=O
SPLASH splash10-0a4i-9420520000-1bfa73f932941b70de32
Source of Spectrum W5-1989-31846-0
Synonyms (12Z)-6-butan-2-yl-3-(dimethylamino)-17-methoxy-9-(phenylmethyl)-5,8,11-triazabicyclo[12.3.1]octadeca-1(17),12,14(18),15-tetraene-4,7,10-trione (12Z)-9-benzyl-3-(dimethylamino)-17-methoxy-6-sec-butyl-5,8,11-triazabicyclo[12.3.1]octadeca-1(17),12,14(18),15-tetraene-4,7,10-trione (12Z)-9-benzyl-6-butan-2-yl-3-(dimethylamino)-17-methoxy-5,8,11-triazabicyclo[12.3.1]octadeca-1(17),12,14(18),15-tetraene-4,7,10-trione Mucronin A
Wiley ID 1399876