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SCORZODIHYDROSTILBENE_E
SpectraBase Compound ID 2sVrdY624vs
InChI InChI=1S/C46H54O20/c1-19(49)35-23(27(51)9-11-29(35)63-45-43(59)41(57)39(55)33(17-47)65-45)7-5-21-13-25(37(53)31(15-21)61-3)26-14-22(16-32(62-4)38(26)54)6-8-24-28(52)10-12-30(36(24)20(2)50)64-46-44(60)42(58)40(56)34(18-48)66-46/h9-16,33-34,39-48,51-60H,5-8,17-18H2,1-4H3/t33-,34-,39-,40-,41+,42+,43-,44-,45-,46-/m0/s1
InChIKey IJRYZVLNWNHITC-AAEHSREKSA-N
Mol Weight 926.9 g/mol
Molecular Formula C46H54O20
Exact Mass 926.320844 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3VBOrz3GGjy
Name SCORZODIHYDROSTILBENE_E
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H54O20
InChI InChI=1S/C46H54O20/c1-19(49)35-23(27(51)9-11-29(35)63-45-43(59)41(57)39(55)33(17-47)65-45)7-5-21-13-25(37(53)31(15-21)61-3)26-14-22(16-32(62-4)38(26)54)6-8-24-28(52)10-12-30(36(24)20(2)50)64-46-44(60)42(58)40(56)34(18-48)66-46/h9-16,33-34,39-48,51-60H,5-8,17-18H2,1-4H3/t33-,34-,39-,40-,41+,42+,43-,44-,45-,46-/m0/s1
InChIKey IJRYZVLNWNHITC-AAEHSREKSA-N
Literature Reference Author Y.WANG,R.A.EDRADA-EBEL,N.TSEVEGSUREN,J.SENDKER,M.BRAUN,V.WRA Y,W.LIN,P.PROKSCH
Literature Reference Citation J.NAT.PROD.,72,671(2009)
Literature Reference DOI 10.1021/np800782f
Molecular Weight 926.923 g/mol
Sample ID 32418
Solvent CD3OD