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JATAMANVALTRATE-E
SpectraBase Compound ID 6uwNcPXt8zM
InChI InChI=1S/C28H44O12/c1-15(2)9-21(30)39-23(17(5)6)25(32)36-12-19-13-37-26(40-22(31)10-16(3)4)24-27(19,33)11-20(38-18(7)29)28(24,34)14-35-8/h13,15-17,20,23-24,26,33-34H,9-12,14H2,1-8H3/t20-,23?,24-,26-,27-,28+/m0/s1
InChIKey IXNNZGPEYDVEBJ-YEPWGQAWSA-N
Mol Weight 572.6 g/mol
Molecular Formula C28H44O12
Exact Mass 572.283277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1Z4OmbgE8b
Name JATAMANVALTRATE_E;(1-S,5-R,7-S,8-R,9S)-7-ACETOXY-5-HYDROXY-1-ISOVALEROXY-11-[ALPHA-(ISOVALEROXY)-ISOVALEROXY]-10-METHOXY-5,6-DIHYDROVALTRATE-HYDRIN
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44O12
InChI InChI=1S/C28H44O12/c1-15(2)9-21(30)39-23(17(5)6)25(32)36-12-19-13-37-26(40-22(31)10-16(3)4)24-27(19,33)11-20(38-18(7)29)28(24,34)14-35-8/h13,15-17,20,23-24,26,33-34H,9-12,14H2,1-8H3/t20-,23?,24-,26-,27-,28+/m0/s1
InChIKey IXNNZGPEYDVEBJ-YEPWGQAWSA-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 572.650 g/mol
Sample ID 32383
Solvent CDCl3