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2-Oxo-4-(p-hydroxyphenyl)-8-acetoxy-10-(2'-methylbutanoyl)-1,5,10-triazacyclotridecane
SpectraBase Compound ID H1SwrP3CdTj
InChI InChI=1S/C23H35N3O5/c1-4-16(2)23(30)26-13-5-11-25-22(29)14-21(18-6-8-19(28)9-7-18)24-12-10-20(15-26)31-17(3)27/h6-9,16,20-21,24,28H,4-5,10-15H2,1-3H3,(H,25,29)
InChIKey YHBSSIXBGQXGJT-UHFFFAOYSA-N
Mol Weight 433.5 g/mol
Molecular Formula C23H35N3O5
Exact Mass 433.257671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9a5hZD7V5hR
Name 2-Oxo-4-(p-hydroxyphenyl)-8-acetoxy-10-(2'-methylbutanoyl)-1,5,10-triazacyclotridecane
Alternate Name(s) Aglycone of meehanine A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H35N3O5
InChI InChI=1S/C23H35N3O5/c1-4-16(2)23(30)26-13-5-11-25-22(29)14-21(18-6-8-19(28)9-7-18)24-12-10-20(15-26)31-17(3)27/h6-9,16,20-21,24,28H,4-5,10-15H2,1-3H3,(H,25,29)
InChIKey YHBSSIXBGQXGJT-UHFFFAOYSA-N
Molecular Weight 433.549 g/mol
SMILES N1CCC(CN(CCCNC(CC1c1ccc(cc1)O)=O)C(=O)C(CC)C)OC(=O)C
SPLASH splash10-052g-9511100000-6f4a37af89cabdb011e8
Source of Spectrum G4-72-1055-1a
Wiley ID 1714666