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FRANGULANINE
SpectraBase Compound ID 7j2EKm0zzoX
InChI InChI=1S/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b15-14-
InChIKey ULQXKOIGVXLOOC-PFONDFGASA-N
Mol Weight 500.7 g/mol
Molecular Formula C28H44N4O4
Exact Mass 500.336256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CirX4fhIeUn
Name Pentanamide, 2-(dimethylamino)-3-methyl-N-[3-(1-methylethyl)-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, [3R-[3R*,4S*(2S*,3S*),7S*]]-
Alternate Name(s) 2-(Dimethylamino)-N-[7-isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide 2-(dimethylamino)-3-methyl-N-[(2Z)-6-(2-methylpropyl)-5,8-bis(oxidanylidene)-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]pentanamide 2-(dimethylamino)-3-methyl-N-[(2Z)-6-(2-methylpropyl)-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]pentanamide 2-(dimethylamino)-N-[(2Z)-6-isobutyl-10-isopropyl-5,8-diketo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-methyl-valeramide 2-(dimethylamino)-N-[(2Z)-6-isobutyl-10-isopropyl-5,8-dioxo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-methyl-pentanamide Ceanothamine A Frangulanine
CAS Registry Number 25350-22-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44N4O4
InChI InChI=1S/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b15-14-
InChIKey ULQXKOIGVXLOOC-PFONDFGASA-N
Molecular Weight 500.684 g/mol
SMILES N(C(C(C(CC)C)N(C)C)=O)C1C(NC(C(N\C=C/c2ccc(OC1C(C)C)cc2)=O)CC(C)C)=O
SPLASH splash10-03di-2900000000-6c05b9a1c94f4d7813b7
Source of Spectrum CD-241-0-0
Wiley ID 134056