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Abyssenin-A
SpectraBase Compound ID FFxc2Ob4cQF
InChI InChI=1S/C25H38N4O4/c1-7-15(3)21-24(31)27-12-11-17-9-10-20(33-6)18(13-17)14-19(26-5)23(30)28-22(16(4)8-2)25(32)29-21/h9-13,15-16,19,21-22,26H,7-8,14H2,1-6H3,(H,27,31)(H,28,30)(H,29,32)/b12-11-/t15?,16?,19-,21+,22+/m1/s1
InChIKey VUDYRRCUGOSXJO-FLPLFTFASA-N
Mol Weight 458.6 g/mol
Molecular Formula C25H38N4O4
Exact Mass 458.289306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7MG3L6ycKu
Name Abyssenin-A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38N4O4
InChI InChI=1S/C25H38N4O4/c1-7-15(3)21-24(31)27-12-11-17-9-10-20(33-6)18(13-17)14-19(26-5)23(30)28-22(16(4)8-2)25(32)29-21/h9-13,15-16,19,21-22,26H,7-8,14H2,1-6H3,(H,27,31)(H,28,30)(H,29,32)/b12-11-/t15?,16?,19-,21+,22+/m1/s1
InChIKey VUDYRRCUGOSXJO-FLPLFTFASA-N
Molecular Weight 458.603 g/mol
SMILES N1[C@](C(N\C=C/c2ccc(c(C[C@](C(N[C@](C1=O)(C(CC)C)[H])=O)(NC)[H])c2)OC)=O)(C(CC)C)[H]
SPLASH splash10-0a4r-5552900000-94ae70938f0a6dc81c5f
Source of Spectrum U-74-1918-1
Synonyms (6S,9S,12R)-15-methoxy-12-(methylamino)-6,9-bis[(1R)-1-methylpropyl]-4,7,10-triazabicyclo[12.3.1]octadeca-1(18),2,14,16-tetraene-5,8,11-trione
Wiley ID 1389879