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JATAMANVALTRATE-B
SpectraBase Compound ID 1LFrJpX9THP
InChI InChI=1S/C32H50O13/c1-17(2)10-24(34)42-16-32(39)23(43-21(9)33)13-31(38)22(15-41-30(28(31)32)45-26(36)12-19(5)6)14-40-29(37)27(20(7)8)44-25(35)11-18(3)4/h15,17-20,23,27-28,30,38-39H,10-14,16H2,1-9H3/t23-,27?,28-,30-,31-,32+/m0/s1
InChIKey ZWCCPUWSKJGJNH-ZTJXRXMQSA-N
Mol Weight 642.7 g/mol
Molecular Formula C32H50O13
Exact Mass 642.325142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Qi0bAmFSFw
Name JATAMANVALTRATE_B;(1-S,5-R,7-S,8-R,9-S)-7-ACETOXY-5-HYDROXY-1,10-DIISOVALEROXY-11-[ALPHA-(ISOVALEROXY)-ISOVALEROXY]-5,6-DIHYDROVALTRATE_HYDRIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H50O13
InChI InChI=1S/C32H50O13/c1-17(2)10-24(34)42-16-32(39)23(43-21(9)33)13-31(38)22(15-41-30(28(31)32)45-26(36)12-19(5)6)14-40-29(37)27(20(7)8)44-25(35)11-18(3)4/h15,17-20,23,27-28,30,38-39H,10-14,16H2,1-9H3/t23-,27?,28-,30-,31-,32+/m0/s1
InChIKey ZWCCPUWSKJGJNH-ZTJXRXMQSA-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 642.741 g/mol
Sample ID 32380
Solvent CDCl3