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Frangufoline

View entire compound with spectra: 1 MS (GC)

Frangufoline
SpectraBase Compound ID 2RSp3TAI6P0
InChI InChI=1S/C31H42N4O4/c1-20(2)18-25-29(36)32-17-16-22-12-14-24(15-13-22)39-28(21(3)4)27(31(38)33-25)34-30(37)26(35(5)6)19-23-10-8-7-9-11-23/h7-17,20-21,25-28H,18-19H2,1-6H3,(H,32,36)(H,33,38)(H,34,37)/b17-16+/t25?,26?,27-,28-/m0/s1
InChIKey TVUQUDJOLFMOKT-DGELEHBDSA-N
Mol Weight 534.7 g/mol
Molecular Formula C31H42N4O4
Exact Mass 534.320606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73ASL1qyqtW
Name Frangufoline
Alternate Name(s) 2-(dimethylamino)-N-[(3S,4S)-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-phenylpropanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H42N4O4
InChI InChI=1S/C31H42N4O4/c1-20(2)18-25-29(36)32-17-16-22-12-14-24(15-13-22)39-28(21(3)4)27(31(38)33-25)34-30(37)26(35(5)6)19-23-10-8-7-9-11-23/h7-17,20-21,25-28H,18-19H2,1-6H3,(H,32,36)(H,33,38)(H,34,37)/b17-16+/t25?,26?,27-,28-/m0/s1
InChIKey TVUQUDJOLFMOKT-DGELEHBDSA-N
Molecular Weight 534.701 g/mol
SMILES N1C(C(N\C=C\c2ccc(O[C@]([C@@](C1=O)(NC(C(N(C)C)Cc1ccccc1)=O)[H])(C(C)C)[H])cc2)=O)CC(C)C
SPLASH splash10-000b-0910200000-122bd6fd98be595b1df2
Source of Spectrum X4-58-511-5
Wiley ID 1605914