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Calichemicin aglycon derivative

View entire compound with spectra: 1 NMR

Calichemicin aglycon derivative
SpectraBase Compound ID 3hDmvCW3aUc
InChI InChI=1S/C17H15NO4S/c1-22-16(20)18-15-12(19)10-17(21)8-5-3-2-4-6-13-14(15)11(17)7-9-23-13/h2-3,7,12-13,19,21H,9-10H2,1H3,(H,18,20)/b3-2-/t12-,13+,17-/m0/s1
InChIKey PEPVNGGQWPTISS-NMVWAHIGSA-N
Mol Weight 329.37 g/mol
Molecular Formula C17H15NO4S
Exact Mass 329.072179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 56pWKSEtUt4
Name Calichemicin aglycon derivative
CAS Registry Number 108212-78-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H15NO4S
InChI InChI=1S/C17H15NO4S/c1-22-16(20)18-15-12(19)10-17(21)8-5-3-2-4-6-13-14(15)11(17)7-9-23-13/h2-3,7,12-13,19,21H,9-10H2,1H3,(H,18,20)/b3-2-/t12-,13+,17-/m0/s1
InChIKey PEPVNGGQWPTISS-NMVWAHIGSA-N
Instrument Name Bruker WM-360
Literature Reference M.D. Lee, T.S. Dunne, C.C.Chang, J. Am. Chem. Soc. 109, 3466 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3