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Sandaracopimaric acid
SpectraBase Compound ID DW51pmcekPk
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/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15?,16?,18-,19?,20+/m0/s1
InChIKey MHVJRKBZMUDEEV-WANGQUDJSA-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 6wuBzHvQvTg
Name Sandaracopimaric acid
Alternate Name(s) (1R,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-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/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15?,16?,18-,19?,20+/m0/s1
InChIKey MHVJRKBZMUDEEV-WANGQUDJSA-N
Molecular Weight 302.458 g/mol
SMILES OC([C@]1(C2C(C3C(=C[C@](CC3)(C=C)C)CC2)(CCC1)C)C)=O
SPLASH splash10-05fr-0931000000-281287d33baefd7917b2
Source of Spectrum QA-46-822-6
Wiley ID 863219