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JATAMANVALTRATE-F
SpectraBase Compound ID Cfti7GfWUqu
InChI InChI=1S/C29H44O12/c1-16(2)9-23(32)36-13-20-14-37-27(40-24(33)10-17(3)4)26-21(20)11-22(39-18(5)30)29(26,35)15-38-25(34)12-28(7,8)41-19(6)31/h14,16-17,21-22,26-27,35H,9-13,15H2,1-8H3/t21-,22+,26-,27+,29-/m1/s1
InChIKey QZOHYBQLEGSTNQ-JQNTVMKESA-N
Mol Weight 584.7 g/mol
Molecular Formula C29H44O12
Exact Mass 584.283277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYEF8OBOmrI
Name JATAMANVALTRATE_F;(1-S,5-S,7-S,8-R,9-S)-7-ACETOXY-10-[BETA-(ACETOXY)-ISOVALEROXY]-1,11-DIISOVALEROXY-5,6-DIHYDROVALTRATE_HYDRIN
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O12
InChI InChI=1S/C29H44O12/c1-16(2)9-23(32)36-13-20-14-37-27(40-24(33)10-17(3)4)26-21(20)11-22(39-18(5)30)29(26,35)15-38-25(34)12-28(7,8)41-19(6)31/h14,16-17,21-22,26-27,35H,9-13,15H2,1-8H3/t21-,22+,26-,27+,29-/m1/s1
InChIKey QZOHYBQLEGSTNQ-JQNTVMKESA-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 584.661 g/mol
Sample ID 32384
Solvent CDCl3