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ASPRELLIC-ACID-A-PERMETHYLATE

View entire compound with spectra: 1 NMR

ASPRELLIC-ACID-A-PERMETHYLATE
SpectraBase Compound ID LpHGgrAVROP
InChI InChI=1S/C51H66O8/c1-46(2)28-29-50(45(54)57-9)30-31-51(33-58-43(52)22-14-34-10-16-36(55-7)17-11-34)38(39(50)32-46)20-21-41-48(5)26-25-42(47(3,4)40(48)24-27-49(41,51)6)59-44(53)23-15-35-12-18-37(56-8)19-13-35/h10-20,22-23,39-42H,21,24-33H2,1-9H3/b22-14+,23-15+/t39-,40-,41+,42-,48-,49+,50-,51-/m0/s1
InChIKey JHUZQZQZGQQTDW-IJJHWPJRSA-N
Mol Weight 807.1 g/mol
Molecular Formula C51H66O8
Exact Mass 806.475769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID INYsEW4wjA8
Name ASPRELLIC-ACID-A-PERMETHYLATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H66O8
InChI InChI=1S/C51H66O8/c1-46(2)28-29-50(45(54)57-9)30-31-51(33-58-43(52)22-14-34-10-16-36(55-7)17-11-34)38(39(50)32-46)20-21-41-48(5)26-25-42(47(3,4)40(48)24-27-49(41,51)6)59-44(53)23-15-35-12-18-37(56-8)19-13-35/h10-20,22-23,39-42H,21,24-33H2,1-9H3/b22-14+,23-15+/t39-,40-,41+,42-,48-,49+,50-,51-/m0/s1
InChIKey JHUZQZQZGQQTDW-IJJHWPJRSA-N
Literature Reference Author Y.KASHIWADA,D.C.ZHANG,Y.P.CHEN,C.M.CHENG,H.T.CHEN,H.C.CHANG, J.J.CHANG,K.H.LEE
Literature Reference Citation J.NAT.PROD.,56,2077(1993)
Literature Reference DOI 10.1021/np50102a008
Molecular Weight 807.080 g/mol
Solvent CDCl3
Source File Reference UWCS17931