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JATAMANVALTRATE-H
SpectraBase Compound ID 2DBHzKeeMeg
InChI InChI=1S/C22H34O9/c1-12(2)6-18(25)28-9-15-10-29-21(31-19(26)7-13(3)4)20-16(15)8-17(30-14(5)24)22(20,27)11-23/h10,12-13,16-17,20-21,23,27H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1
InChIKey GGDYOYOEMNQXNC-PNBTUHDLSA-N
Mol Weight 442.5 g/mol
Molecular Formula C22H34O9
Exact Mass 442.220283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DeNDVUSQVIs
Name JATAMANVALTRATE_H;(1-S,5-S,7-S,8-R,9-S)-7-ACETOXY-10-HYDROXY-1,11-DIISOVALEROXY-5,6-DIHYDROVALTRATE_HYDRIN
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O9
InChI InChI=1S/C22H34O9/c1-12(2)6-18(25)28-9-15-10-29-21(31-19(26)7-13(3)4)20-16(15)8-17(30-14(5)24)22(20,27)11-23/h10,12-13,16-17,20-21,23,27H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1
InChIKey GGDYOYOEMNQXNC-PNBTUHDLSA-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 442.507 g/mol
Sample ID 32386
Solvent CDCl3