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4,7,10-Triazabicyclo[12.3.1]octadeca-1(18),2,14,16-tetraene-5,8,11-trione, 12-(dimethylamino)-15-methoxy-9-(1-methylpropyl)-6-(2-methylpropyl)-
SpectraBase Compound ID 5Th31q8eMn7
InChI InChI=1S/C26H40N4O4/c1-8-17(4)23-26(33)28-20(13-16(2)3)24(31)27-12-11-18-9-10-22(34-7)19(14-18)15-21(30(5)6)25(32)29-23/h9-12,14,16-17,20-21,23H,8,13,15H2,1-7H3,(H,27,31)(H,28,33)(H,29,32)/b12-11-
InChIKey DTJKIZLJQRPJKA-QXMHVHEDSA-N
Mol Weight 472.6 g/mol
Molecular Formula C26H40N4O4
Exact Mass 472.304956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GblqRvSH9Vo
Name 4,7,10-Triazabicyclo[12.3.1]octadeca-1(18),2,14,16-tetraene-5,8,11-trione, 12-(dimethylamino)-15-methoxy-9-(1-methylpropyl)-6-(2-methylpropyl)-
CAS Registry Number 38840-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40N4O4
InChI InChI=1S/C26H40N4O4/c1-8-17(4)23-26(33)28-20(13-16(2)3)24(31)27-12-11-18-9-10-22(34-7)19(14-18)15-21(30(5)6)25(32)29-23/h9-12,14,16-17,20-21,23H,8,13,15H2,1-7H3,(H,27,31)(H,28,33)(H,29,32)/b12-11-
InChIKey DTJKIZLJQRPJKA-QXMHVHEDSA-N
Molecular Weight 472.630 g/mol
SMILES N1C(C(Cc2c(ccc(\C=C/NC(=O)C(CC(C)C)NC(C1C(CC)C)=O)c2)OC)N(C)C)=O
SPLASH splash10-00g0-6432900000-6c08d50541b181a3a645
Source of Spectrum W5-1989-31847-0
Synonyms 9-Sec-butyl-12-(dimethylamino)-6-isobutyl-15-methoxy-4,7,10-triazabicyclo[12.3.1]octadeca-1(18),2,14,16-tetraene-5,8,11-trione (12Z)-3-(dimethylamino)-9-isobutyl-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)-6-butan-2-yl-3-(dimethylamino)-17-methoxy-9-(2-methylpropyl)-5,8,11-triazabicyclo[12.3.1]octadeca-1(17),12,14(18),15-tetraene-4,7,10-trione Mucronin C
Wiley ID 1393377