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Aralionine, debenzoyl-
SpectraBase Compound ID A6w9MhxRrmi
InChI InChI=1S/C27H34N4O4/c1-5-18(2)24(31(3)4)27(34)30-23-25(20-9-7-6-8-10-20)35-21-13-11-19(12-14-21)15-16-28-22(32)17-29-26(23)33/h6-16,18,23-25H,5,17H2,1-4H3,(H,28,32)(H,29,33)(H,30,34)/b16-15-
InChIKey KMJPOPBKFUUXRI-NXVVXOECSA-N
Mol Weight 478.6 g/mol
Molecular Formula C27H34N4O4
Exact Mass 478.258006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YfyojbB2NI
Name Aralionine, debenzoyl-
CAS Registry Number 21761-50-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34N4O4
InChI InChI=1S/C27H34N4O4/c1-5-18(2)24(31(3)4)27(34)30-23-25(20-9-7-6-8-10-20)35-21-13-11-19(12-14-21)15-16-28-22(32)17-29-26(23)33/h6-16,18,23-25H,5,17H2,1-4H3,(H,28,32)(H,29,33)(H,30,34)/b16-15-
InChIKey KMJPOPBKFUUXRI-NXVVXOECSA-N
Molecular Weight 478.593 g/mol
SMILES N(C(C(C(CC)C)N(C)C)=O)C1C(NCC(N\C=C/c2ccc(OC1c1ccccc1)cc2)=O)=O
SPLASH splash10-03di-3900000000-8ab99c9cdee6deb739eb
Source of Spectrum K-102-53-3
Synonyms 2-(Dimethylamino)-N-[5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide 2-(dimethylamino)-N-[(2Z)-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-methylpentanamide 2-(dimethylamino)-N-[(2Z)-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-methyl-pentanamide N-[(2Z)-5,8-bis(oxidanylidene)-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-2-(dimethylamino)-3-methyl-pentanamide
Wiley ID 1394775