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(1R,3S,4S,5S,7R,9R,10R,11R)-9-HYDROXY-1,7-DI-PARA-NITROBENZOYLOXYLONGIPINANE
SpectraBase Compound ID JjgIODNOvo4
InChI InChI=1S/C29H32N2O9/c1-15-13-20(39-26(33)16-5-9-18(10-6-16)30(35)36)24-25-23(15)29(24,4)21(32)14-22(28(25,2)3)40-27(34)17-7-11-19(12-8-17)31(37)38/h5-12,15,20-25,32H,13-14H2,1-4H3/t15-,20+,21-,22+,23+,24-,25+,29-/m0/s1
InChIKey ILDJVJXDMHQEEZ-GHCDEPGDSA-N
Mol Weight 552.6 g/mol
Molecular Formula C29H32N2O9
Exact Mass 552.210781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AqD0iRHwC1p
Name (1R,3S,4S,5S,7R,9R,10R,11R)-9-HYDROXY-1,7-DI-PARA-NITROBENZOYLOXYLONGIPINANE
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H32N2O9
InChI InChI=1S/C29H32N2O9/c1-15-13-20(39-26(33)16-5-9-18(10-6-16)30(35)36)24-25-23(15)29(24,4)21(32)14-22(28(25,2)3)40-27(34)17-7-11-19(12-8-17)31(37)38/h5-12,15,20-25,32H,13-14H2,1-4H3/t15-,20+,21-,22+,23+,24-,25+,29-/m0/s1
InChIKey ILDJVJXDMHQEEZ-GHCDEPGDSA-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 552.581 g/mol
Solvent CDCl3
Source File Reference UWBS1584