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Swinholide-A tetraformate

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Swinholide-A tetraformate
SpectraBase Compound ID 1fLkaCOOTCT
InChI InChI=1S/C43H66O14/c1-27-12-15-33(51-23-44)19-34-10-9-11-35(56-34)21-38(50-8)30(4)39(52-24-45)22-40(53-25-46)31(5)43(57-41(48)17-13-27)32(6)42(54-26-47)28(2)14-16-36-20-37(49-7)18-29(3)55-36/h9-10,12-13,17,23-26,28-40,42-43H,11,14-16,18-22H2,1-8H3/b17-13+,27-12-
InChIKey MWAOHKWROJERSH-BFBSIOLGSA-N
Mol Weight 807.0 g/mol
Molecular Formula C43H66O14
Exact Mass 806.445257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IoNXZrGUUCX
Name Swinholide-A tetraformate
CAS Registry Number 102996-63-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C43H66O14
InChI InChI=1S/C43H66O14/c1-27-12-15-33(51-23-44)19-34-10-9-11-35(56-34)21-38(50-8)30(4)39(52-24-45)22-40(53-25-46)31(5)43(57-41(48)17-13-27)32(6)42(54-26-47)28(2)14-16-36-20-37(49-7)18-29(3)55-36/h9-10,12-13,17,23-26,28-40,42-43H,11,14-16,18-22H2,1-8H3/b17-13+,27-12-
InChIKey MWAOHKWROJERSH-BFBSIOLGSA-N
Instrument Name Bruker WM-360
Literature Reference S. Carmely, M. Rotem, Y. Kashman, Magn. Res. Chem. 24, 343 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Benzene-D6