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NHFJTMBXGAWVBK-MVQWCUCHSA-N
SpectraBase Compound ID 41NtVZoqNRA
InChI InChI=1S/C23H31NO6S/c1-12(7-20-24-9-19(29-20)15-4-5-31-11-15)6-17-22(27)21(26)16(10-28-17)8-18-23(30-18)13(2)14(3)25/h4-5,7,9,11,13-14,16-18,21-23,25-27H,6,8,10H2,1-3H3/b12-7+/t13-,14+,16-,17-,18+,21+,22-,23-/m1/s1
InChIKey NHFJTMBXGAWVBK-MVQWCUCHSA-N
Mol Weight 449.56 g/mol
Molecular Formula C23H31NO6S
Exact Mass 449.187209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IoqqjjimRyJ
Name NHFJTMBXGAWVBK-MVQWCUCHSA-N
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31NO6S
InChI InChI=1S/C23H31NO6S/c1-12(7-20-24-9-19(29-20)15-4-5-31-11-15)6-17-22(27)21(26)16(10-28-17)8-18-23(30-18)13(2)14(3)25/h4-5,7,9,11,13-14,16-18,21-23,25-27H,6,8,10H2,1-3H3/b12-7+/t13-,14+,16-,17-,18+,21+,22-,23-/m1/s1
InChIKey NHFJTMBXGAWVBK-MVQWCUCHSA-N
Literature Reference Author N.J.P.BROOM,J.S.ELDER,P.C.T.HANNAN,J.E.PONS,P.J.O'HANLON,G.W ALKER,J.WILSON,P.WOO
Literature Reference Citation J.ANTIBIOTICS,48,1336(1995)
Literature Reference DOI 10.7164/antibiotics.48.1336
Molecular Weight 449.562 g/mol
Solvent CDCl3
Source File Reference UWCS24613