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MURUCOIDIN_IV
SpectraBase Compound ID AiixRMgianB
InChI InChI=1S/C56H96O25/c1-10-13-19-22-32-23-20-17-15-14-16-18-21-24-34(58)75-47-42(66)44(30(8)71-55(47)80-46-38(62)35(59)28(6)69-54(46)73-32)78-56-49(77-51(68)27(5)12-3)48(81-53-40(64)37(61)36(60)33(25-57)74-53)45(31(9)72-56)79-52-41(65)39(63)43(29(7)70-52)76-50(67)26(4)11-2/h26-33,35-49,52-57,59-66H,10-25H2,1-9H3/t26?,27?,28-,29+,30+,31+,32+,33-,35+,36-,37+,38+,39+,40-,41-,42+,43+,44+,45+,46-,47-,48-,49-,52+,53+,54+,55+,56+/m1/s1
InChIKey UGFCYMGNAMSNEL-ZPQSTPIFSA-N
Mol Weight 1169.4 g/mol
Molecular Formula C56H96O25
Exact Mass 1168.624069 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7s81QwOUDq
Name MURUCOIDIN_IV
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H96O25
InChI InChI=1S/C56H96O25/c1-10-13-19-22-32-23-20-17-15-14-16-18-21-24-34(58)75-47-42(66)44(30(8)71-55(47)80-46-38(62)35(59)28(6)69-54(46)73-32)78-56-49(77-51(68)27(5)12-3)48(81-53-40(64)37(61)36(60)33(25-57)74-53)45(31(9)72-56)79-52-41(65)39(63)43(29(7)70-52)76-50(67)26(4)11-2/h26-33,35-49,52-57,59-66H,10-25H2,1-9H3/t26?,27?,28-,29+,30+,31+,32+,33-,35+,36-,37+,38+,39+,40-,41-,42+,43+,44+,45+,46-,47-,48-,49-,52+,53+,54+,55+,56+/m1/s1
InChIKey UGFCYMGNAMSNEL-ZPQSTPIFSA-N
Literature Reference Author L.CHERIGO,R.PEREDA-MIRANDA
Literature Reference Citation J.NAT.PROD.,69,595(2006)
Literature Reference DOI 10.1021/np0504457
Molecular Weight 1169.363 g/mol
Solvent C5D5N
Source File Reference UWMZ18210