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JATAMANVALTRATE_J;(1-S,7-S,8-R,9-S)-11-ACETOXY-7-HYDROXY-1,10-DIISOVALEROXYVALTRATE_HYDRIN
SpectraBase Compound ID IM1K3QCWgx6
InChI InChI=1S/C22H32O9/c1-12(2)6-18(25)30-11-22(27)17(24)8-16-15(9-28-14(5)23)10-29-21(20(16)22)31-19(26)7-13(3)4/h8,10,12-13,17,20-21,24,27H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
InChIKey OEAZFPVJNXNHSX-KVJIRVJXSA-N
Mol Weight 440.5 g/mol
Molecular Formula C22H32O9
Exact Mass 440.204633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID oqUTqvCTlE
Name JATAMANVALTRATE-J
Compound Number 116
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O9
InChI InChI=1S/C22H32O9/c1-12(2)6-18(25)30-11-22(27)17(24)8-16-15(9-28-14(5)23)10-29-21(20(16)22)31-19(26)7-13(3)4/h8,10,12-13,17,20-21,24,27H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
InChIKey OEAZFPVJNXNHSX-KVJIRVJXSA-N
Literature Reference Author B.DINDA,S.DEBNATH,R.BANIK
Literature Reference Citation CHEM.PHARM.BULL.,59,803(2011)
Literature Reference DOI 10.1248/cpb.59.803
Molecular Weight 440.491 g/mol
Source File Reference UWIR3346