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1-Naphthalenepentanoic acid, decahydro-2-hydroxy-.beta.,2,5,5,8a-pentamethyl-, methyl ester, [1S-[1.alpha.(S*),2.beta.,4a.beta.,8a.alpha.]]-

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1-Naphthalenepentanoic acid, decahydro-2-hydroxy-.beta.,2,5,5,8a-pentamethyl-, methyl ester, [1S-[1.alpha.(S*),2.beta.,4a.beta.,8a.alpha.]]-
SpectraBase Compound ID 3RZcXEwltRa
InChI InChI=1S/C21H38O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h15-17,23H,7-14H2,1-6H3
InChIKey GOECIRGMYVJNBS-UHFFFAOYSA-N
Mol Weight 338.5 g/mol
Molecular Formula C21H38O3
Exact Mass 338.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7idXC8umUHy
Name Labdanolic acid, methyl ester
CAS Registry Number 3950-05-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H38O3
InChI InChI=1S/C21H38O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h15-17,23H,7-14H2,1-6H3
InChIKey GOECIRGMYVJNBS-UHFFFAOYSA-N
Instrument Name Bruker WH-270
Literature Reference F. Bohlmann, C. Zdero, Phytochem. 16, 1583 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3