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3-EPI-LONGIPINANE-7-BETA,9-ALPHA-DIOL-1-ONE-DI-PARA-NITROBENZOATE
SpectraBase Compound ID ALHOAuwPyLP
InChI InChI=1S/C29H30N2O9/c1-15-13-20(32)24-25-23(15)29(24,4)22(40-27(34)17-7-11-19(12-8-17)31(37)38)14-21(28(25,2)3)39-26(33)16-5-9-18(10-6-16)30(35)36/h5-12,15,21-25H,13-14H2,1-4H3/t15-,21-,22-,23+,24-,25+,29-/m1/s1
InChIKey PSOGJOZGPHRUBW-KYIYXMNWSA-N
Mol Weight 550.56 g/mol
Molecular Formula C29H30N2O9
Exact Mass 550.195131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7t1e7RIEYGe
Name 3-EPI-LONGIPINANE-7-BETA,9-ALPHA-DIOL-1-ONE-DI-PARA-NITROBENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H30N2O9
InChI InChI=1S/C29H30N2O9/c1-15-13-20(32)24-25-23(15)29(24,4)22(40-27(34)17-7-11-19(12-8-17)31(37)38)14-21(28(25,2)3)39-26(33)16-5-9-18(10-6-16)30(35)36/h5-12,15,21-25H,13-14H2,1-4H3/t15-,21-,22-,23+,24-,25+,29-/m1/s1
InChIKey PSOGJOZGPHRUBW-KYIYXMNWSA-N
Literature Reference Author P.JOSEPH-NATHAN,C.M.CERDA,R.E.DELRIO,L.U.ROMAN,J.D.HERNANDEZ
Literature Reference Citation J.NAT.PROD.,49,1053(1986)
Literature Reference DOI 10.1021/np50048a013
Molecular Weight 550.565 g/mol
Solvent CDCl3
Source File Reference UWED17154