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Psammaplysin A acetamide acetate
SpectraBase Compound ID BkQ76MLSoC7
InChI InChI=1S/C25H27Br4N3O8/c1-13(33)30-7-5-15-9-16(26)22(17(27)10-15)37-8-4-6-31-24(35)20-23(39-14(2)34)25(40-32-20)11-18(28)21(36-3)19(29)12-38-25/h9-10,12,23H,4-8,11H2,1-3H3,(H,30,33)(H,31,35)
InChIKey LULWVVCZUMUSTL-UHFFFAOYSA-N
Mol Weight 817.12 g/mol
Molecular Formula C25H27Br4N3O8
Exact Mass 812.853167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IXKZIvvF2
Name Psammaplysin-A acetamide acetate
CAS Registry Number 95739-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27Br4N3O8
InChI InChI=1S/C25H27Br4N3O8/c1-13(33)30-7-5-15-9-16(26)22(17(27)10-15)37-8-4-6-31-24(35)20-23(39-14(2)34)25(40-32-20)11-18(28)21(36-3)19(29)12-38-25/h9-10,12,23H,4-8,11H2,1-3H3,(H,30,33)(H,31,35)
InChIKey LULWVVCZUMUSTL-UHFFFAOYSA-N
Molecular Weight 817.120 g/mol
SMILES N(C(C=1C(C2(CC(=C(OC)C(=CO2)Br)Br)ON1)OC(=O)C)=O)CCCOc1c(cc(CCNC(=O)C)cc1Br)Br
SPLASH splash10-004i-0294300000-15b4c89bb3d802b1ecf2
Source of Spectrum C-107-2919-0
Synonyms 8,10-dibromo-3-({3-[2,6-dibromo-4-(2-acetamidoethyl)phenoxy]propyl}carbamoyl)-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-trien-4-yl acetate
Wiley ID 1417355