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Pinusolidic acid
SpectraBase Compound ID 6mrNh3eABNp
InChI InChI=1S/C20H28O4/c1-13-5-8-16-19(2,10-4-11-20(16,3)18(22)23)15(13)7-6-14-9-12-24-17(14)21/h9,15-16H,1,4-8,10-12H2,2-3H3,(H,22,23)/t15-,16+,19+,20-/m0/s1
InChIKey FHQSDRHZGCMBKG-FIYPYCPBSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7eWzS7hJ1L
Name Pinusolidic acid
Alternate Name(s) (1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylene-5-(2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl)decahydronaphthalene-1-carboxylic acid
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Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-13-5-8-16-19(2,10-4-11-20(16,3)18(22)23)15(13)7-6-14-9-12-24-17(14)21/h9,15-16H,1,4-8,10-12H2,2-3H3,(H,22,23)/t15-,16+,19+,20-/m0/s1
InChIKey FHQSDRHZGCMBKG-FIYPYCPBSA-N
Literature Reference DOI 10.1002/jccs.200300022
Molecular Weight 332.440 g/mol
SMILES OC([C@@]1([C@]2([C@@](CCC1)(C)[C@](C(CC2)=C)(CCC1=CCOC1=O)[H])[H])C)=O
SPLASH splash10-00dr-2791000000-8094a58b01f149aa8b64
Source of Spectrum QA-50-165-19
Wiley ID 1795714