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Pre-swinholide A

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Pre-swinholide A
SpectraBase Compound ID 1q3GSon089R
InChI InChI=1S/C39H68O11/c1-23(13-17-37(43)44)12-15-29(40)19-30-10-9-11-31(50-30)21-36(48-8)26(4)34(41)22-35(42)27(5)39(46)28(6)38(45)24(2)14-16-32-20-33(47-7)18-25(3)49-32/h9-10,12-13,17,24-36,38-42,45-46H,11,14-16,18-22H2,1-8H3,(H,43,44)/b17-13+,23-12+
InChIKey CFSBHVAVGWXPTQ-IDOYKMJDSA-N
Mol Weight 713.0 g/mol
Molecular Formula C39H68O11
Exact Mass 712.476163 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmOKKo2jCLU
Name Pre-swinholide A
Comments SOME PEAKS OBSERVED ONLY IN CD30D, 62.5 MHZ SPECTRUM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C39H68O11
InChI InChI=1S/C39H68O11/c1-23(13-17-37(43)44)12-15-29(40)19-30-10-9-11-31(50-30)21-36(48-8)26(4)34(41)22-35(42)27(5)39(46)28(6)38(45)24(2)14-16-32-20-33(47-7)18-25(3)49-32/h9-10,12-13,17,24-36,38-42,45-46H,11,14-16,18-22H2,1-8H3,(H,43,44)/b17-13+,23-12+
InChIKey CFSBHVAVGWXPTQ-IDOYKMJDSA-N
Instrument Name see comment
Literature Reference J.S. Todd, K.A. Alvi, P.Crews, Tetrahedron Lett. 441 (1992).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5