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JATAMANVALTRATE-A
SpectraBase Compound ID Jnhu4I1Si0h
InChI InChI=1S/C34H52O15/c1-18(2)11-25(37)47-28(20(5)6)30(40)43-15-23-16-44-31(48-26(38)12-19(3)4)29-33(23,41)13-24(46-21(7)35)34(29,42)17-45-27(39)14-32(9,10)49-22(8)36/h16,18-20,24,28-29,31,41-42H,11-15,17H2,1-10H3/t24-,28?,29-,31-,33-,34+/m0/s1
InChIKey RSFLKWAAFPCZOO-YXIIQOEFSA-N
Mol Weight 700.8 g/mol
Molecular Formula C34H52O15
Exact Mass 700.330621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rEYAtP5Jg1
Name JATAMANVALTRATE_A;(1-S,5-R,7-S,8-R,9-S)-7-ACETOXY-10-[BETA-(ACETOXY)-ISOVALEROXY]-5-HYDROXY-1-ISOVALEROXY-11-[ALPHA-(ISOVALEROXY)-ISOVALEROXY]-5,6
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H52O15
InChI InChI=1S/C34H52O15/c1-18(2)11-25(37)47-28(20(5)6)30(40)43-15-23-16-44-31(48-26(38)12-19(3)4)29-33(23,41)13-24(46-21(7)35)34(29,42)17-45-27(39)14-32(9,10)49-22(8)36/h16,18-20,24,28-29,31,41-42H,11-15,17H2,1-10H3/t24-,28?,29-,31-,33-,34+/m0/s1
InChIKey RSFLKWAAFPCZOO-YXIIQOEFSA-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 700.778 g/mol
Sample ID 32379
Solvent CDCl3