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LJRSKAOFAYLIEX-GFZNHYBZSA-N

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LJRSKAOFAYLIEX-GFZNHYBZSA-N
SpectraBase Compound ID 1VMpgQLZ7MQ
InChI InChI=1S/C30H42O8S3/c1-18(31)37-26(19-8-6-5-7-9-19)30(33)38-25-11-13-40-15-21(25)28(35-3)23-17-41-16-22(29(23)36-4)27(34-2)20-14-39-12-10-24(20)32/h5-9,20-23,25-29H,10-17H2,1-4H3/t20-,21+,22+,23-,25-,26-,27+,28-,29-/m1/s1
InChIKey LJRSKAOFAYLIEX-GFZNHYBZSA-N
Mol Weight 626.8 g/mol
Molecular Formula C30H42O8S3
Exact Mass 626.204182 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IHPURxu8azh
Name LJRSKAOFAYLIEX-GFZNHYBZSA-N
Compound Number S9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H42O8S3
InChI InChI=1S/C30H42O8S3/c1-18(31)37-26(19-8-6-5-7-9-19)30(33)38-25-11-13-40-15-21(25)28(35-3)23-17-41-16-22(29(23)36-4)27(34-2)20-14-39-12-10-24(20)32/h5-9,20-23,25-29H,10-17H2,1-4H3/t20-,21+,22+,23-,25-,26-,27+,28-,29-/m1/s1
InChIKey LJRSKAOFAYLIEX-GFZNHYBZSA-N
Literature Reference Author D.E.WARD,H.M.GILLIS,O.T.AKINNUSI,M.A.RASHEED,K.SARAVANAN,P.K .SASMAL
Literature Reference Citation ORG.LETTERS,8,2631(2006)
Literature Reference DOI 10.1021/ol060802k
Molecular Weight 626.839 g/mol
Sample ID 58120
Solvent CDCl3