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16,19-Dihydroxy-3-methyl[4]metacyclo[3](10,16)-isoalloxazinophane
SpectraBase Compound ID Jz56iizzXEI
InChI InChI=1S/C24H24N4O4/c1-27-23(31)20-22(26-24(27)32)28-11-5-9-16-13-17(29)12-15(21(16)30)7-3-2-6-14-8-4-10-18(28)19(14)25-20/h4,8,10,12-13,29-30H,2-3,5-7,9,11H2,1H3
InChIKey XNUPGMZGZLPFEG-UHFFFAOYSA-N
Mol Weight 432.48 g/mol
Molecular Formula C24H24N4O4
Exact Mass 432.179755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtDldQEriMb
Name 16,19-Dihydroxy-3-methyl[4]metacyclo[3](10,16)-isoalloxazinophane
Alternate Name(s) 25,27-dihydroxy-9-methyl-5,7,9,12-tetraazapentacyclo[21.3.1.0(5,14).0(6,11).0(13,18)]heptacosa-1(27),6,11,13,15,17,23,25-octaene-8,10-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24N4O4
InChI InChI=1S/C24H24N4O4/c1-27-23(31)20-22(26-24(27)32)28-11-5-9-16-13-17(29)12-15(21(16)30)7-3-2-6-14-8-4-10-18(28)19(14)25-20/h4,8,10,12-13,29-30H,2-3,5-7,9,11H2,1H3
InChIKey XNUPGMZGZLPFEG-UHFFFAOYSA-N
Molecular Weight 432.480 g/mol
SMILES Oc1c2cc(cc1CCCCc1c3N=C4C(=NC(N(C4=O)C)=O)N(CCC2)c3ccc1)O
SPLASH splash10-00lu-0090600000-d763c6329e99fbdec0b7
Source of Spectrum U-1995-1834-22
Wiley ID 767565