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6-Methyl-9-(2-methylpropyl)-19-nonyl-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
SpectraBase Compound ID FOUf8iQ7Bow
InChI InChI=1S/C33H59N5O7/c1-9-10-11-12-13-14-15-16-24-18-26(39)34-19-27(40)37-28(21(4)5)32(43)36-25(17-20(2)3)31(42)35-23(8)30(41)38-29(22(6)7)33(44)45-24/h20-25,28-29H,9-19H2,1-8H3,(H,34,39)(H,35,42)(H,36,43)(H,37,40)(H,38,41)
InChIKey KIJLRIARMCGDJZ-UHFFFAOYSA-N
Mol Weight 637.9 g/mol
Molecular Formula C33H59N5O7
Exact Mass 637.441449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYlWinGeva4
Name 6-Methyl-9-(2-methylpropyl)-19-nonyl-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Alternate Name(s) 9-isobutyl-3,12-diisopropyl-6-methyl-19-nonyl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone 9-isobutyl-3,12-diisopropyl-6-methyl-19-nonyl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-triquinone Isariin Isariin C Isariin D Isarolide NSC 135015
CAS Registry Number 10409-85-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H59N5O7
InChI InChI=1S/C33H59N5O7/c1-9-10-11-12-13-14-15-16-24-18-26(39)34-19-27(40)37-28(21(4)5)32(43)36-25(17-20(2)3)31(42)35-23(8)30(41)38-29(22(6)7)33(44)45-24/h20-25,28-29H,9-19H2,1-8H3,(H,34,39)(H,35,42)(H,36,43)(H,37,40)(H,38,41)
InChIKey KIJLRIARMCGDJZ-UHFFFAOYSA-N
Molecular Weight 637.863 g/mol
SMILES N1C(C(C(C)C)NC(=O)CNC(=O)CC(OC(C(NC(C(NC(=O)C1CC(C)C)C)=O)C(C)C)=O)CCCCCCCCC)=O
SPLASH splash10-00di-4943681000-89bbb26daaea6e2e27fe
Source of Spectrum T-66-2627-0
Wiley ID 65704