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12-Oxo-marrubiastrol

View entire compound with spectra: 1 NMR

12-Oxo-marrubiastrol
SpectraBase Compound ID O7SIqxrUZa
InChI InChI=1S/C20H24O5/c1-12-6-7-20-11-25-18(23)14(20)4-3-5-16(20)19(12,2)9-15(21)13-8-17(22)24-10-13/h4,8,12,16H,3,5-7,9-11H2,1-2H3
InChIKey AJRKZLMFGONGLF-UHFFFAOYSA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lf1kPT6XpFP
Name 12-Oxo-marrubiastrol
CAS Registry Number 67416-29-9
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-12-6-7-20-11-25-18(23)14(20)4-3-5-16(20)19(12,2)9-15(21)13-8-17(22)24-10-13/h4,8,12,16H,3,5-7,9-11H2,1-2H3
InChIKey AJRKZLMFGONGLF-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference R. Tschesche, B. Streuff, Chem. Ber. 111, 2130 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3