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(8BETA,13ALPHA)-ROS-5(10)-EN-16-OL, 3,5-DINITROBENZOATE
SpectraBase Compound ID 1PwrEKWQseL
InChI InChI=1S/C27H36N2O6/c1-25(2)9-5-6-23-22(25)8-7-19-17-26(3,10-11-27(19,23)4)12-13-35-24(30)18-14-20(28(31)32)16-21(15-18)29(33)34/h14-16,19H,5-13,17H2,1-4H3/t19-,26-,27+/m1/s1
InChIKey SMPASOQHYYISHK-MERSGSKISA-N
Mol Weight 484.6 g/mol
Molecular Formula C27H36N2O6
Exact Mass 484.257337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6RLioCIuiUC
Name (8BETA,13ALPHA)-ROS-5(10)-EN-16-OL, 3,5-DINITROBENZOATE
Comments 1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H36N2O6
InChI InChI=1S/C27H36N2O6/c1-25(2)9-5-6-23-22(25)8-7-19-17-26(3,10-11-27(19,23)4)12-13-35-24(30)18-14-20(28(31)32)16-21(15-18)29(33)34/h14-16,19H,5-13,17H2,1-4H3/t19-,26-,27+/m1/s1
InChIKey SMPASOQHYYISHK-MERSGSKISA-N
Instrument Name Bruker WM-250
Literature Reference A.M.MOISEENKOV, V.A.DRAGAN, V.V.VESELOVSKY, A.S.SHASHKOV (1991) Izv.Akad.NaukSSSR(Russ. Lang.): N8, 1896-1905.
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d