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JATAMANVALTRATE-C
SpectraBase Compound ID 57P8xoxa9I0
InChI InChI=1S/C29H44O13/c1-15(2)9-22(32)41-24(17(5)6)26(34)37-12-20-13-38-27(42-23(33)10-16(3)4)25-28(20,35)11-21(40-19(8)31)29(25,36)14-39-18(7)30/h13,15-17,21,24-25,27,35-36H,9-12,14H2,1-8H3/t21-,24?,25-,27-,28-,29+/m0/s1
InChIKey JDPPHKXCSVHYOR-XCUDLWSTSA-N
Mol Weight 600.7 g/mol
Molecular Formula C29H44O13
Exact Mass 600.278191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KnEYTPl8Jr
Name JATAMANVALTRATE_C;(1-S,5-R,7-S,8-R,9-S)-7,10-DIACETOXY-5-HYDROXY-1-ISOVALEROXY-11-[ALPHA-(ISOVALEROXY)-ISOVALEROXY]-5,6-DIHYDROVALTRATE_HYDRIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O13
InChI InChI=1S/C29H44O13/c1-15(2)9-22(32)41-24(17(5)6)26(34)37-12-20-13-38-27(42-23(33)10-16(3)4)25-28(20,35)11-21(40-19(8)31)29(25,36)14-39-18(7)30/h13,15-17,21,24-25,27,35-36H,9-12,14H2,1-8H3/t21-,24?,25-,27-,28-,29+/m0/s1
InChIKey JDPPHKXCSVHYOR-XCUDLWSTSA-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 600.661 g/mol
Sample ID 32381
Solvent CDCl3