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(4S,9R,10R)-METHYL-18-CARBOXY-LABDA-8,13(E)-DIENE-15-OATE
SpectraBase Compound ID 4A7yKt1Qkah
InChI InChI=1S/C21H32O4/c1-14(13-18(22)25-5)7-9-16-15(2)8-10-17-20(16,3)11-6-12-21(17,4)19(23)24/h13,16-17H,2,6-12H2,1,3-5H3,(H,23,24)/b14-13+
InChIKey AKIRMBMADXTLAC-BUHFOSPRSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91aSYhEK7Ze
Name Agathic acid, 15-monomethyl ester
Comments REASSIGNED R.R. C15 WAS CHANGED FROM 177.20 PPM TO 167.20 PPM (PRINTING ERROR ?)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-14(13-18(22)25-5)7-9-16-15(2)8-10-17-20(16,3)11-6-12-21(17,4)19(23)24/h13,16-17H,2,6-12H2,1,3-5H3,(H,23,24)/b14-13+
InChIKey AKIRMBMADXTLAC-BUHFOSPRSA-N
Instrument Name Varian CFT-20
Literature Reference J. Bastard, D.K. Duc, M. Fetizon, J. Nat. Products 47, 592 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone-D6