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3-{6,6-dimethyl-2-[2(r,s),4(s)-dimethyl-5-methoxycarbonyl-pentyl]-1-cyclohexen-1-yl]-propanoic acid
SpectraBase Compound ID 46rY3YfexYA
InChI InChI=1S/C20H34O4/c1-14(13-19(23)24-5)8-9-15(2)16-7-6-12-20(3,4)17(16)10-11-18(21)22/h14-15H,6-13H2,1-5H3,(H,21,22)/t14-,15-/m0/s1
InChIKey SMPMXTQBAJXSGG-GJZGRUSLSA-N
Mol Weight 338.5 g/mol
Molecular Formula C20H34O4
Exact Mass 338.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74luswT6Nza
Name 3-{6,6-dimethyl-2-[2(r,s),4(s)-dimethyl-5-methoxycarbonyl-pentyl]-1-cyclohexen-1-yl]-propanoic acid
Alternate Name(s) 3-(6,6-Dimethyl-2-(1(R,S),4S-dimethyl-5-methoxycarbonyl-pentyl)-1-cyclohexenyl)-propanoic acid 3-{2-[(1S,4S)-6-methoxy-1,4-dimethyl-6-oxohexyl]-6,6-dimethyl-1-cyclohexen-1-yl}propanoic acid
CAS Registry Number 108888-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O4
InChI InChI=1S/C20H34O4/c1-14(13-19(23)24-5)8-9-15(2)16-7-6-12-20(3,4)17(16)10-11-18(21)22/h14-15H,6-13H2,1-5H3,(H,21,22)/t14-,15-/m0/s1
InChIKey SMPMXTQBAJXSGG-GJZGRUSLSA-N
Molecular Weight 338.488 g/mol
SMILES OC(CCC1=C([C@](CC[C@@](CC(=O)OC)(C)[H])(C)[H])CCCC1(C)C)=O
SPLASH splash10-0kmj-0910000000-4a8b186701224211b08e
Source of Spectrum F-42-4573-12
Wiley ID 1333938