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ISOPIMARSAEURE
SpectraBase Compound ID 5HugKqVkkMs
InChI InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1
InChIKey MXYATHGRPJZBNA-KRFUXDQASA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iuy4pdEBcGN
Name Isopimaric acid
Alternate Name(s) (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
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Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1
InChIKey MXYATHGRPJZBNA-KRFUXDQASA-N
Molecular Weight 302.458 g/mol
SMILES OC([C@]1([C@]2([C@@]([C@@]3(C(=CC2)C[C@](CC3)(C=C)C)[H])(CCC1)C)[H])C)=O
SPLASH splash10-0gw0-0975000000-2b7735aeed6813a2a4cd
Source of Spectrum QA-46-822-7
Wiley ID 863218