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MERRESECTINE_C
SpectraBase Compound ID 1jH5yMixx9q
InChI InChI=1S/C25H35NO3/c1-16(2)6-8-18-12-20(13-19(24(18)27)9-7-17(3)4)25(28)29-23-14-21-10-11-22(15-23)26(21)5/h6-7,12-13,21-23,27H,8-11,14-15H2,1-5H3/t21-,22+,23-
InChIKey MYEROKWORYNFGZ-NUNAXRQHSA-N
Mol Weight 397.6 g/mol
Molecular Formula C25H35NO3
Exact Mass 397.261694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KEnJWgfCGO1
Name MERRESECTINE_C
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H35NO3
InChI InChI=1S/C25H35NO3/c1-16(2)6-8-18-12-20(13-19(24(18)27)9-7-17(3)4)25(28)29-23-14-21-10-11-22(15-23)26(21)5/h6-7,12-13,21-23,27H,8-11,14-15H2,1-5H3/t21-,22+,23-
InChIKey MYEROKWORYNFGZ-NUNAXRQHSA-N
Literature Reference Author K.JENETT-SIEMS,R.WEIGL,A.BOEHM,P.MANN,B.TOFERN-REBLIN,S.C.OT T,A.GHOMIAN,M.KALOGA
Literature Reference Citation PHYTOCHEM.,66,1448(2005)
Literature Reference DOI 10.1016/j.phytochem.2005.04.027
Molecular Weight 397.558 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ25012