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SANDAROCOPIMARSAEURE
SpectraBase Compound ID 2DN47gN5vCs
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-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 4pJxREvTt3A
Name Sandaracopimaric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-KRFUXDQASA-N
Molecular Weight 302.458 g/mol
SMILES OC([C@]1([C@]2([C@@]([C@@]3(C(=C[C@](CC3)(C=C)C)CC2)[H])(CCC1)C)[H])C)=O
SPLASH splash10-0fki-0954000000-97097bf36c48fbc29bbb
Source of Spectrum QA-33-248-15
Synonyms (1R,4aR,4bS,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Wiley ID 860980