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THALASSIOLIN-B

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THALASSIOLIN-B
SpectraBase Compound ID 1I3w9K2S1lk
InChI InChI=1S/C22H22O14S/c1-32-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)34-14)33-22-21(36-37(29,30)31)20(28)19(27)17(8-23)35-22/h2-7,17,19-25,27-28H,8H2,1H3,(H,29,30,31)/p-1/t17-,19-,20+,21-,22-/m1/s1
InChIKey UKJYXZRYJZSCBM-MIUGBVLSSA-M
Mol Weight 541.46 g/mol
Molecular Formula C22H21O14S
Exact Mass 541.065202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eGnly3ehcY
Name THALASSIOLIN-B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21O14S
InChI InChI=1S/C22H22O14S/c1-32-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)34-14)33-22-21(36-37(29,30)31)20(28)19(27)17(8-23)35-22/h2-7,17,19-25,27-28H,8H2,1H3,(H,29,30,31)/p-1/t17-,19-,20+,21-,22-/m1/s1
InChIKey UKJYXZRYJZSCBM-MIUGBVLSSA-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 541.460 g/mol
Solvent DMSO-D6
Source File Reference UWSI24340