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Neoabietic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Neoabietic acid methyl ester
SpectraBase Compound ID 4ZOlwIUJtrX
InChI InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h13,17-18H,6-12H2,1-5H3/t17-,18+,20+,21+/m0/s1
InChIKey XLNYKQDSHLEWFW-UYWIDEMCSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6WnmJlBQZFg
Name NEOABIETIC-ACID-METHYLESTER
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h13,17-18H,6-12H2,1-5H3/t17-,18+,20+,21+/m0/s1
InChIKey XLNYKQDSHLEWFW-UYWIDEMCSA-N
Literature Reference Author M.TOKI,T.OOI,T.KUSUMI
Literature Reference Citation J.NAT.PROD.,62,1504(1999)
Literature Reference DOI 10.1021/np990170t
Molecular Weight 316.484 g/mol
Solvent CDCl3
Source File Reference UWCS22717