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Psammaplysin A

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Psammaplysin A
SpectraBase Compound ID GPUUvb0BGtr
InChI InChI=1S/C21H23Br4N3O6/c1-31-17-14(24)9-21(33-10-15(17)25)19(29)16(28-34-21)20(30)27-5-2-6-32-18-12(22)7-11(3-4-26)8-13(18)23/h7-8,10,19,29H,2-6,9,26H2,1H3,(H,27,30)/t19-,21-/m1/s1
InChIKey XVHHFAJHWSIGJS-TZIWHRDSSA-N
Mol Weight 733.05 g/mol
Molecular Formula C21H23Br4N3O6
Exact Mass 728.832037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wEF15c3MkB
Name Psammaplysin-A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23Br4N3O6
InChI InChI=1S/C21H23Br4N3O6/c1-31-17-14(24)9-21(33-10-15(17)25)19(29)16(28-34-21)20(30)27-5-2-6-32-18-12(22)7-11(3-4-26)8-13(18)23/h7-8,10,19,29H,2-6,9,26H2,1H3,(H,27,30)/t19-,21-/m1/s1
InChIKey XVHHFAJHWSIGJS-TZIWHRDSSA-N
Molecular Weight 733.046 g/mol
SMILES N(C(C=1[C@]([C@]2(ON1)CC(=C(OC)C(=CO2)Br)Br)(O)[H])=O)CCCOc1c(cc(CCN)cc1Br)Br
SPLASH splash10-0a4i-9060000000-f24d1f2238b15ef75078
Source of Spectrum C-107-2919-0
Synonyms (1R,5R)-N-[3-[4-(2-aminoethyl)-2,6-dibromo-phenoxy]propyl]-7,9-dibromo-1-hydroxy-8-methoxy-4,11-dioxa-3-azaspiro[4.6]undeca-2,7,9-triene-2-carboxamide (1R,5R)-N-[3-[4-(2-azanylethyl)-2,6-bis(bromanyl)phenoxy]propyl]-7,9-bis(bromanyl)-8-methoxy-1-oxidanyl-4,11-dioxa-3-azaspiro[4.6]undeca-2,7,9-triene-2-carboxamide (4R,5R)-N-{3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl}-8,10-dibromo-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,n-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)- (4R,5R)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-4-hydroxy-8-methoxy-1,11-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide (4R,5R)-N-[3-[4-(2-azanylethyl)-2,6-bis(bromanyl)phenoxy]propyl]-7,9-bis(bromanyl)-8-methoxy-4-oxidanyl-1,11-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide
Wiley ID 1415883