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11-DEOXYFISTULARIN-3

View entire compound with spectra: 1 NMR

11-DEOXYFISTULARIN-3
SpectraBase Compound ID HBqC55Ge6xH
InChI InChI=1S/C31H30Br6N4O10/c1-47-24-16(34)8-30(26(43)21(24)36)10-18(40-50-30)28(45)38-4-3-5-49-23-14(32)6-13(7-15(23)33)20(42)12-39-29(46)19-11-31(51-41-19)9-17(35)25(48-2)22(37)27(31)44/h6-9,20,26-27,42-44H,3-5,10-12H2,1-2H3,(H,38,45)(H,39,46)/t20?,26-,27-,30-,31-/m0/s1
InChIKey KBSNOPQUQMZRHZ-UYJLCHPNSA-N
Mol Weight 1098.02 g/mol
Molecular Formula C31H30Br6N4O10
Exact Mass 1091.706221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYxNMqGGis2
Name 11-DEOXYFISTULARIN-3
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H30Br6N4O10
InChI InChI=1S/C31H30Br6N4O10/c1-47-24-16(34)8-30(26(43)21(24)36)10-18(40-50-30)28(45)38-4-3-5-49-23-14(32)6-13(7-15(23)33)20(42)12-39-29(46)19-11-31(51-41-19)9-17(35)25(48-2)22(37)27(31)44/h6-9,20,26-27,42-44H,3-5,10-12H2,1-2H3,(H,38,45)(H,39,46)/t20?,26-,27-,30-,31-/m0/s1
InChIKey KBSNOPQUQMZRHZ-UYJLCHPNSA-N
Literature Reference Author R.S.COMPAGNONE,R.AVILA,A.I.SUAREZ,O.V.ABRAMS,H.R.RANGEL,F.AR VELO,I.C.PINA,E.MERE
Literature Reference Citation J.NAT.PROD.,62,1443(1999)
Literature Reference DOI 10.1021/np9901938
Molecular Weight 1098.024 g/mol
Solvent C5D5N
Source File Reference WANG2174