John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JVOEAat0JlH SpectraBase Spectrum ID=29cXp1LvLlW

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ASIMITRIN
SpectraBase Compound ID JVOEAat0JlH
InChI InChI=1S/C37H66O8/c1-3-4-5-6-7-11-14-17-20-30(39)33-22-23-34(44-33)35-26-32(41)36(45-35)31(40)21-18-15-12-9-8-10-13-16-19-29(38)25-28-24-27(2)43-37(28)42/h24,27,29-36,38-41H,3-23,25-26H2,1-2H3/t27-,29+,30+,31+,32-,33+,34+,35-,36+/m1/s1
InChIKey NNTXABWKPQWPML-GXVLSIIZSA-N
Mol Weight 638.9 g/mol
Molecular Formula C37H66O8
Exact Mass 638.47577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29cXp1LvLlW
Name ASIMITRIN
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H66O8
InChI InChI=1S/C37H66O8/c1-3-4-5-6-7-11-14-17-20-30(39)33-22-23-34(44-33)35-26-32(41)36(45-35)31(40)21-18-15-12-9-8-10-13-16-19-29(38)25-28-24-27(2)43-37(28)42/h24,27,29-36,38-41H,3-23,25-26H2,1-2H3/t27-,29+,30+,31+,32-,33+,34+,35-,36+/m1/s1
InChIKey NNTXABWKPQWPML-GXVLSIIZSA-N
Literature Reference Author E.J.KIM,K.M.SUH,D.H.KIM,E.J.JUNG,C.S.SEO,J.K.SON,M.H.WOO,J.L .MCLAUGHLIN
Literature Reference Citation J.NAT.PROD.,68,194(2005)
Literature Reference DOI 10.1021/np040184l
Molecular Weight 638.926 g/mol
Solvent CDCl3
Source File Reference UWMZ8830
SpectraBase Batch ID 6rejE5x2jaU