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[3aR-(3aR*,5E,9Z,11aS*)]-2,3,3a,4,7,8,11,11a-octahydro-6-methyl-3-methylene-2-oxocyclodeca(b)furan-10-carboxylic acid (pertic acid)

View entire compound with spectra: 1 MS (GC)

[3aR-(3aR*,5E,9Z,11aS*)]-2,3,3a,4,7,8,11,11a-octahydro-6-methyl-3-methylene-2-oxocyclodeca(b)furan-10-carboxylic acid (pertic acid)
SpectraBase Compound ID EEZy5YFoVQR
InChI InChI=1S/C15H18O4/c1-9-4-3-5-11(14(16)17)8-13-12(7-6-9)10(2)15(18)19-13/h5-6,12-13H,2-4,7-8H2,1H3,(H,16,17)/b9-6+,11-5+/t12-,13+/m1/s1
InChIKey ZTCKLMZDVQRERE-OLRSHLRNSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BawjAHg7r82
Name [3aR-(3aR*,5E,9Z,11aS*)]-2,3,3a,4,7,8,11,11a-octahydro-6-methyl-3-methylene-2-oxocyclodeca(b)furan-10-carboxylic acid (pertic acid)
CAS Registry Number 87741-69-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-9-4-3-5-11(14(16)17)8-13-12(7-6-9)10(2)15(18)19-13/h5-6,12-13H,2-4,7-8H2,1H3,(H,16,17)/b9-6+,11-5+/t12-,13+/m1/s1
InChIKey ZTCKLMZDVQRERE-OLRSHLRNSA-N
Molecular Weight 262.305 g/mol
SMILES OC(\C=1C[C@@]2(OC(C([C@]2(C\C=C\(CCC/1)C)[H])=C)=O)[H])=O
SPLASH splash10-014l-9340000000-3f15c90b97df97637375
Source of Spectrum W5-1989-38489-27047
Synonyms (3aR,11aS)-6-methyl-3-methylene-2-oxo-2,3,3a,4,7,8,11,11a-octahydrocyclodeca[b]furan-10-carboxylic acid [3aR-(3ar@,5E,9Z,11as@)]-2,3,3a,4,7,8,11,11a-octahydro-6-methyl-3-methylene-2-oxocyclodeca(b)furan-10-carboxylic acid (pertic acid)
Wiley ID 1265842