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(1R,3S,4S,5S,7R,9R,10R,11R)-9-ACETYLOXY-1-HYDROXY-7-PARA-NITROBENZOYLOXYLONGIPIN-ANE
SpectraBase Compound ID 61Ckx4xVAaH
InChI InChI=1S/C24H31NO7/c1-12-10-16(27)20-21-19(12)24(20,5)18(31-13(2)26)11-17(23(21,3)4)32-22(28)14-6-8-15(9-7-14)25(29)30/h6-9,12,16-21,27H,10-11H2,1-5H3/t12-,16+,17-,18-,19-,20+,21-,24+/m1/s1
InChIKey KNSRAUSWEDSZME-GRXZUEDKSA-N
Mol Weight 445.51 g/mol
Molecular Formula C24H31NO7
Exact Mass 445.210052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FbD9letcYgP
Name (1R,3S,4S,5S,7R,9R,10R,11R)-9-ACETYLOXY-1-HYDROXY-7-PARA-NITROBENZOYLOXYLONGIPIN-ANE
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H31NO7
InChI InChI=1S/C24H31NO7/c1-12-10-16(27)20-21-19(12)24(20,5)18(31-13(2)26)11-17(23(21,3)4)32-22(28)14-6-8-15(9-7-14)25(29)30/h6-9,12,16-21,27H,10-11H2,1-5H3/t12-,16+,17-,18-,19-,20+,21-,24+/m1/s1
InChIKey KNSRAUSWEDSZME-GRXZUEDKSA-N
Literature Reference Author M.MELENDEZ-RODRIGUEZ,C.M.CERDA-GARCIA-ROJAS,P.JOSEPH-NATHAN
Literature Reference Citation J.NAT.PROD.,65,1398(2002)
Literature Reference DOI 10.1021/np020158s
Molecular Weight 445.513 g/mol
Solvent CDCl3
Source File Reference UWBS1589