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JATAMANVALTRATE-I
SpectraBase Compound ID 6ibntlFFueX
InChI InChI=1S/C29H36O11/c1-16(2)10-24(32)36-13-19-14-37-28(40-25(33)11-17(3)4)26-21(19)12-23(39-18(5)30)29(26,35)15-38-27(34)20-8-6-7-9-22(20)31/h6-9,12,14,16-17,23,26,28,31,35H,10-11,13,15H2,1-5H3/t23-,26+,28-,29+/m0/s1
InChIKey IUCHWPNAQOIPNG-IPGTZRFSSA-N
Mol Weight 560.6 g/mol
Molecular Formula C29H36O11
Exact Mass 560.225762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CVqxcjPBoo2
Name JATAMANVALTRATE_I;(1-S,7-S,8-R,9-S)-7-ACETOXY-10-(ORTHO-HYDROXYBENZOYLOXY)-1,11-DIISOVALEROXYVALTRATE_HYDRIN
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O11
InChI InChI=1S/C29H36O11/c1-16(2)10-24(32)36-13-19-14-37-28(40-25(33)11-17(3)4)26-21(19)12-23(39-18(5)30)29(26,35)15-38-27(34)20-8-6-7-9-22(20)31/h6-9,12,14,16-17,23,26,28,31,35H,10-11,13,15H2,1-5H3/t23-,26+,28-,29+/m0/s1
InChIKey IUCHWPNAQOIPNG-IPGTZRFSSA-N
Literature Reference Author S.LIN,Y.H.SHEN,H.L.LI,X.W.YANG,T.CHEN,L.H.LU,Z.S.HUANG,R.H.L IU,X.K.XU,W.D.ZHANG,
Literature Reference Citation J.NAT.PROD.,72,650(2009)
Literature Reference DOI 10.1021/np800716f
Molecular Weight 560.598 g/mol
Sample ID 32388
Solvent CDCl3