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JATAMANVALTRATE-M
SpectraBase Compound ID 9nVTpPL7Ecx
InChI InChI=1S/C19H28O8/c1-5-23-8-13-9-24-17(27-15(21)6-11(2)3)16-18(13,22)7-14(26-12(4)20)19(16)10-25-19/h9,11,14,16-17,22H,5-8,10H2,1-4H3/t14-,16-,17-,18-,19+/m0/s1
InChIKey HXMXOBXOPPGJHP-XFUTXVRSSA-N
Mol Weight 384.43 g/mol
Molecular Formula C19H28O8
Exact Mass 384.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GkkM44b8TD1
Name JATAMANVALTRATE_M;(1-S,5-R,7-S,8-R,9-S)-7-ACETOXY-11-ETHOXY-5-HYDROXY-1-ISOVALEROXY-5,6-DIHYDROVALTRATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28O8
InChI InChI=1S/C19H28O8/c1-5-23-8-13-9-24-17(27-15(21)6-11(2)3)16-18(13,22)7-14(26-12(4)20)19(16)10-25-19/h9,11,14,16-17,22H,5-8,10H2,1-4H3/t14-,16-,17-,18-,19+/m0/s1
InChIKey HXMXOBXOPPGJHP-XFUTXVRSSA-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 384.427 g/mol
Sample ID 32393
Solvent CDCl3