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19-DEOXY-11-OXO-FISTULARIN

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19-DEOXY-11-OXO-FISTULARIN
SpectraBase Compound ID 5prS2R323KB
InChI InChI=1S/C31H28Br6N4O10/c1-47-24-17(34)7-30(26(43)21(24)36)9-19(40-50-30)28(45)38-4-3-13-5-15(32)23(16(33)6-13)49-12-14(42)11-39-29(46)20-10-31(51-41-20)8-18(35)25(48-2)22(37)27(31)44/h5-8,26-27,43-44H,3-4,9-12H2,1-2H3,(H,38,45)(H,39,46)/t26-,27-,30+,31+/m0/s1
InChIKey ILWHIQUMCNFBIC-TUXGATLDSA-N
Mol Weight 1096.01 g/mol
Molecular Formula C31H28Br6N4O10
Exact Mass 1089.690571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLnvPrFvTWf
Name 19-Deoxy-11-oxofistularin 3
Alternate Name(s) 7,9-Dibromo-N-(2-{3,5-dibromo-4-[3-({7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl}formamido)-2-oxopropoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide (5S,6R)-7,9-dibromo-N-[2-[3,5-dibromo-4-[3-[[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-trien-3-yl]-oxomethyl]amino]-2-oxopropoxy]phenyl]ethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide (5S,6R)-7,9-dibromo-N-[2-[3,5-dibromo-4-[3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-2-oxopropoxy]phenyl]ethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide (5S,6R)-7,9-dibromo-N-[2-[3,5-dibromo-4-[3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-2-oxo-propoxy]phenyl]ethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide (5S,6R)-N-[2-[4-[3-[[(5S,6R)-7,9-bis(bromanyl)-8-methoxy-6-oxidanyl-1-oxa-2-azaspiro[4.5]deca-2,7,9-trien-3-yl]carbonylamino]-2-oxidanylidene-propoxy]-3,5-bis(bromanyl)phenyl]ethyl]-7,9-bis(bromanyl)-8-methoxy-6-oxidanyl-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
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Formula C31H28Br6N4O10
InChI InChI=1S/C31H28Br6N4O10/c1-47-24-17(34)7-30(26(43)21(24)36)9-19(40-50-30)28(45)38-4-3-13-5-15(32)23(16(33)6-13)49-12-14(42)11-39-29(46)20-10-31(51-41-20)8-18(35)25(48-2)22(37)27(31)44/h5-8,26-27,43-44H,3-4,9-12H2,1-2H3,(H,38,45)(H,39,46)/t26-,27-,30+,31+/m0/s1
InChIKey ILWHIQUMCNFBIC-TUXGATLDSA-N
Molecular Weight 1096.007 g/mol
SMILES O[C@]1(C(=C(C(=C[C@@]11CC(C(=O)NCCc2cc(c(OCC(CNC(C=3C[C@@]4(C=C(C(=C([C@@]4(O)[H])Br)OC)Br)ON3)=O)=O)c(c2)Br)Br)=NO1)Br)OC)Br)[H]
SPLASH splash10-06di-0039000000-da07ab90c7e953149bc4
Source of Spectrum KC-0-3124-9
Wiley ID 780324