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8-ALPHA-HYDROXYLONGIPINANE-1,7-DIONE-8-P-NITROBENZOATE
SpectraBase Compound ID 2sVMS10nBK4
InChI InChI=1S/C22H25NO6/c1-11-9-14(24)17-18-16(11)22(17,4)10-15(19(25)21(18,2)3)29-20(26)12-5-7-13(8-6-12)23(27)28/h5-8,11,15-18H,9-10H2,1-4H3/t11-,15-,16-,17+,18-,22+/m0/s1
InChIKey XPNASMUKDUHMIB-UGOPVIAOSA-N
Mol Weight 399.44 g/mol
Molecular Formula C22H25NO6
Exact Mass 399.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJnKu7gfnXJ
Name 8-ALPHA-HYDROXYLONGIPINANE-1,7-DIONE-8-P-NITROBENZOATE
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25NO6
InChI InChI=1S/C22H25NO6/c1-11-9-14(24)17-18-16(11)22(17,4)10-15(19(25)21(18,2)3)29-20(26)12-5-7-13(8-6-12)23(27)28/h5-8,11,15-18H,9-10H2,1-4H3/t11-,15-,16-,17+,18-,22+/m0/s1
InChIKey XPNASMUKDUHMIB-UGOPVIAOSA-N
Literature Reference Author L.U.ROMAN,L.G.ZEPEDA,N.R.MORALES,S.FLORES,J.D.HERNANDEZ,C.M. CERDA-GARCIA-ROJAS,P
Literature Reference Citation J.NAT.PROD.,59,391(1996)
Literature Reference DOI 10.1021/np960072x
Molecular Weight 399.444 g/mol
Solvent CDCl3
Source File Reference UWVP2429