John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=10ggs7dHRhU SpectraBase Spectrum ID=FsePN86RjC

(accessed ).
MYRICERIC-ACID-C
SpectraBase Compound ID 10ggs7dHRhU
InChI InChI=1S/C48H60O10/c1-43(2)21-22-47(42(55)56)23-24-48(28-57-40(53)15-9-29-7-12-33(49)35(51)25-29)31(32(47)27-43)11-14-38-45(5)19-18-39(44(3,4)37(45)17-20-46(38,48)6)58-41(54)16-10-30-8-13-34(50)36(52)26-30/h7-13,15-16,25-26,32,37-39,49-52H,14,17-24,27-28H2,1-6H3,(H,55,56)/b15-9+,16-10+/t32-,37-,38+,39-,45-,46+,47-,48-/m0/s1
InChIKey OQOHHYHCCUJBHE-HQEPTUIISA-N
Mol Weight 797.0 g/mol
Molecular Formula C48H60O10
Exact Mass 796.418649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsePN86RjC
Name MYRICERIC-ACID-C
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H60O10
InChI InChI=1S/C48H60O10/c1-43(2)21-22-47(42(55)56)23-24-48(28-57-40(53)15-9-29-7-12-33(49)35(51)25-29)31(32(47)27-43)11-14-38-45(5)19-18-39(44(3,4)37(45)17-20-46(38,48)6)58-41(54)16-10-30-8-13-34(50)36(52)26-30/h7-13,15-16,25-26,32,37-39,49-52H,14,17-24,27-28H2,1-6H3,(H,55,56)/b15-9+,16-10+/t32-,37-,38+,39-,45-,46+,47-,48-/m0/s1
InChIKey OQOHHYHCCUJBHE-HQEPTUIISA-N
Literature Reference Author K.SAKURAWI,F.YASUDA,T.TOZYO,M.NAKAMURA,T.SATO,J.KIKUCHI,Y.TE RUI,Y.IKENISHI,T.IW
Literature Reference Citation CHEM.PHARM.BULL.,44,343(1996)
Literature Reference DOI 10.1248/cpb.44.343
Molecular Weight 796.998 g/mol
Solvent CDCl3:CD3OD=10:1
Source File Reference UWLU31657
SpectraBase Batch ID 9EdnILGB4h8