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Neothiobinupharidine, (7S,13S)-

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Neothiobinupharidine, (7S,13S)-
SpectraBase Compound ID 3BLYPap2WSV
InChI InChI=1S/C30H42N2O2S/c1-21-3-5-27(23-9-13-33-15-23)31-18-29(11-7-25(21)31)17-30(35-20-29)12-8-26-22(2)4-6-28(32(26)19-30)24-10-14-34-16-24/h9-10,13-16,21-22,25-28H,3-8,11-12,17-20H2,1-2H3
InChIKey WBMOHCBEBDKSBI-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C30H42N2O2S
Exact Mass 494.2967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7WNrfcaSe3
Name Thio-binupharidine
CAS Registry Number 30343-72-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H42N2O2S
InChI InChI=1S/C30H42N2O2S/c1-21-3-5-27(23-9-13-33-15-23)31-18-29(11-7-25(21)31)17-30(35-20-29)12-8-26-22(2)4-6-28(32(26)19-30)24-10-14-34-16-24/h9-10,13-16,21-22,25-28H,3-8,11-12,17-20H2,1-2H3
InChIKey WBMOHCBEBDKSBI-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference R. Lalonde, T. Donvito, Can. J. Chem. 53, 1714 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3