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THALASSIOLIN-C
SpectraBase Compound ID KkuTb8uQZpM
InChI InChI=1S/C21H20O13S/c22-8-16-18(26)19(27)20(34-35(28,29)30)21(33-16)31-11-5-12(24)17-13(25)7-14(32-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-27H,8H2,(H,28,29,30)/p-1/t16-,18-,19+,20-,21-/m0/s1
InChIKey JVXAACCAUUVSMP-RQUKQETFSA-M
Mol Weight 511.43 g/mol
Molecular Formula C21H19O13S
Exact Mass 511.054637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0ACgi9JxHf
Name THALASSIOLIN-C
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19O13S
InChI InChI=1S/C21H20O13S/c22-8-16-18(26)19(27)20(34-35(28,29)30)21(33-16)31-11-5-12(24)17-13(25)7-14(32-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-27H,8H2,(H,28,29,30)/p-1/t16-,18-,19+,20-,21-/m0/s1
InChIKey JVXAACCAUUVSMP-RQUKQETFSA-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 511.434 g/mol
Solvent DMSO-D6
Source File Reference UWSI24341