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THALASSIOLIN-A
SpectraBase Compound ID AMK2wq92qEi
InChI InChI=1S/C21H20O14S/c22-7-16-18(27)19(28)20(35-36(29,30)31)21(34-16)32-9-4-12(25)17-13(26)6-14(33-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-28H,7H2,(H,29,30,31)/p-1/t16-,18-,19+,20-,21-/m1/s1
InChIKey RADMEXUHLCJBEW-QNDFHXLGSA-M
Mol Weight 527.43 g/mol
Molecular Formula C21H19O14S
Exact Mass 527.049551 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ded6F73Jnmy
Name THALASSIOLIN-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19O14S
InChI InChI=1S/C21H20O14S/c22-7-16-18(27)19(28)20(35-36(29,30)31)21(34-16)32-9-4-12(25)17-13(26)6-14(33-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-28H,7H2,(H,29,30,31)/p-1/t16-,18-,19+,20-,21-/m1/s1
InChIKey RADMEXUHLCJBEW-QNDFHXLGSA-M
Literature Reference Author D.C.ROWLEY,M.S.T.HANSEN,D.RHODES,C.A.SOTRIFFER,H.NI,J.A.M.CA MMON,F.D.BUSHMAN,W.F
Literature Reference Citation BIOORG.MED.CHEM.,10,3619(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00241-9
Molecular Weight 527.433 g/mol
Solvent DMSO-D6
Source File Reference UWSI24339