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CYCLOVIRACIN-B1;SYNTHETIC-PRODUCT
SpectraBase Compound ID 5Ur4ncz4zmZ
InChI InChI=1S/C83H152O33/c1-51(87)36-28-26-34-40-53(108-82-77(103-4)72(98)65(91)58(47-85)113-82)38-30-22-19-15-12-9-13-17-21-25-33-43-56-45-63(89)106-50-60-67(93)69(95)74(100)79(115-60)110-55(44-62(88)105-49-61-68(94)70(96)75(101)80(111-56)116-61)42-32-24-20-16-11-8-6-7-10-14-18-23-31-39-54(109-83-78(104-5)73(99)66(92)59(48-86)114-83)41-35-27-29-37-52(2)107-81-76(102-3)71(97)64(90)57(46-84)112-81/h51-61,64-87,90-101H,6-50H2,1-5H3/t51-,52+,53-,54-,55+,56-,57-,58-,59-,60+,61+,64-,65-,66-,67+,68+,69-,70-,71+,72+,73+,74+,75+,76-,77-,78-,79+,80+,81-,82-,83-/m1/s1
InChIKey UHXMKKIXCMBBAY-OOJRFJQGSA-N
Mol Weight 1678.1 g/mol
Molecular Formula C83H152O33
Exact Mass 1677.021587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BboYy80dJHR
Name CYCLOVIRACIN-B1;SYNTHETIC-PRODUCT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C83H152O33
InChI InChI=1S/C83H152O33/c1-51(87)36-28-26-34-40-53(108-82-77(103-4)72(98)65(91)58(47-85)113-82)38-30-22-19-15-12-9-13-17-21-25-33-43-56-45-63(89)106-50-60-67(93)69(95)74(100)79(115-60)110-55(44-62(88)105-49-61-68(94)70(96)75(101)80(111-56)116-61)42-32-24-20-16-11-8-6-7-10-14-18-23-31-39-54(109-83-78(104-5)73(99)66(92)59(48-86)114-83)41-35-27-29-37-52(2)107-81-76(102-3)71(97)64(90)57(46-84)112-81/h51-61,64-87,90-101H,6-50H2,1-5H3/t51-,52+,53-,54-,55+,56-,57-,58-,59-,60+,61+,64-,65-,66-,67+,68+,69-,70-,71+,72+,73+,74+,75+,76-,77-,78-,79+,80+,81-,82-,83-/m1/s1
InChIKey UHXMKKIXCMBBAY-OOJRFJQGSA-N
Literature Reference Author A.FUERSTNER,J.MLYNARSKI,M.ALBERT
Literature Reference Citation J.AM.CHEM.SOC.,124,10274(2002)
Literature Reference DOI 10.1021/ja027346p
Molecular Weight 1678.100 g/mol
Sample ID 34776
Solvent C5D5N