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2-Pentenoic acid, 2-methyl-5-[1a,2,3,4,4a,5,7a,7b-octahydro-1-(hydroxymethyl)-4,7-dimethyl-1H-cyclobuta[de]naphthalen-1-yl]-, methyl ester, [1R-[1.alpha.,1(E),1a.alpha.,4.beta.,4a.alpha.,7a.alpha.,7b.alpha.]]-
SpectraBase Compound ID L1yDpL42A7m
InChI InChI=1S/C21H32O3/c1-13-8-10-17-18-16(13)9-7-14(2)19(18)21(17,12-22)11-5-6-15(3)20(23)24-4/h6-7,13,16-19,22H,5,8-12H2,1-4H3/b15-6+
InChIKey MAHNKFASZSPYNC-GIDUJCDVSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtinAucIS8E
Name 2-Pentenoic acid, 2-methyl-5-[1a,2,3,4,4a,5,7a,7b-octahydro-1-(hydroxymethyl)-4,7-dimethyl-1H-cyclobuta[de]naphthalen-1-yl]-, methyl ester, [1R-[1.alpha.,1(E),1a.alpha.,4.beta.,4a.alpha.,7a.alpha.,7b.alpha.]]-
CAS Registry Number 77912-11-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-13-8-10-17-18-16(13)9-7-14(2)19(18)21(17,12-22)11-5-6-15(3)20(23)24-4/h6-7,13,16-19,22H,5,8-12H2,1-4H3/b15-6+
InChIKey MAHNKFASZSPYNC-GIDUJCDVSA-N
Molecular Weight 332.484 g/mol
SMILES OCC1(C2C(=CCC3C2C1CCC3C)C)CC\C=C\(C(=O)OC)C
SPLASH splash10-0a59-0962000000-f4ff6a82d60dd0c92b41
Source of Spectrum F-36-3259-0
Synonyms 1H-cyclobuta[de]naphthalene, 2-pentenoic acid deriv. Methyl (2E)-5-[1-(hydroxymethyl)-4,7-dimethyl-1a,2,3,4,4a,5,7a,7b-octahydro-1H-cyclobuta[de]naphthalen-1-yl]-2-methyl-2-pentenoate Methyl 18-benzoyloxy-12-oxo-12,13-secodecipi-10-en-13-oate
Wiley ID 1329773