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Macrocarpal I
SpectraBase Compound ID 3PYqwRCAxx1
InChI InChI=1S/C28H42O7/c1-15(2)11-17(22-24(32)18(13-29)23(31)19(14-30)25(22)33)20-8-10-28(6,35)21-12-16(26(3,4)34)7-9-27(20,21)5/h13-17,20-21,31-35H,7-12H2,1-6H3/t16-,17?,20+,21-,27+,28-/m1/s1
InChIKey PXQFFMATXFLUPK-FBWULOCESA-N
Mol Weight 490.6 g/mol
Molecular Formula C28H42O7
Exact Mass 490.293054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID gDgySOTFUy
Name MACROCARPAL-J
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42O7
InChI InChI=1S/C28H42O7/c1-15(2)11-17(22-24(32)18(13-29)23(31)19(14-30)25(22)33)20-8-10-28(6,35)21-12-16(26(3,4)34)7-9-27(20,21)5/h13-17,20-21,31-35H,7-12H2,1-6H3/t16-,17?,20+,21-,27+,28-/m1/s1
InChIKey PXQFFMATXFLUPK-FBWULOCESA-N
Literature Reference Author K.OSAWA,H.YASUDA,H.MORITA,K.TAKEYA,H.ITOKAWA
Literature Reference Citation J.NAT.PROD.,59,823(1996)
Literature Reference DOI 10.1021/np9604994
Molecular Weight 490.637 g/mol
Solvent PYRIDINE-D5
Source File Reference UWRK841