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2-Pentenoic acid, 5-[decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-3-methyl-, methyl ester, [1S-[1.alpha.(E),4a.beta.,5.alpha.,8a.alpha.]]-

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2-Pentenoic acid, 5-[decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-3-methyl-, methyl ester, [1S-[1.alpha.(E),4a.beta.,5.alpha.,8a.alpha.]]-
SpectraBase Compound ID 4uJPMfIWPtJ
InChI InChI=1S/C21H34O3/c1-15(13-19(23)24-5)7-9-17-16(2)8-10-18-20(3,14-22)11-6-12-21(17,18)4/h13,17-18,22H,2,6-12,14H2,1,3-5H3/b15-13+
InChIKey BJANWPXNKOLWEW-FYWRMAATSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQVlMsrsL1W
Name 19-Hydroxy-13,15-iso-manoolcarboxylic acid, methyl ester
CAS Registry Number 1757-87-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-15(13-19(23)24-5)7-9-17-16(2)8-10-18-20(3,14-22)11-6-12-21(17,18)4/h13,17-18,22H,2,6-12,14H2,1,3-5H3/b15-13+
InChIKey BJANWPXNKOLWEW-FYWRMAATSA-N
Instrument Name Varian CFT-20
Literature Reference J. Bastard, D.K. Duc, M. Fetizon, J. Nat. Products 47, 592 (1984).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3