SpectraBase Spectrum ID |
Heh7NQH8s7i |
Name |
Bicyclo[4.2.0]octane-2-acetic acid, 3,7-dimethyl-7-(4-methylpentyl)-8-oxo-, [1R-(1.alpha.,2.beta.,3.beta.,6.alpha.,7.beta.)]- |
CAS Registry Number |
78037-27-1 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C18H30O3 |
InChI |
InChI=1S/C18H30O3/c1-11(2)6-5-9-18(4)14-8-7-12(3)13(10-15(19)20)16(14)17(18)21/h11-14,16H,5-10H2,1-4H3,(H,19,20)/t12-,13-,14+,16-,18+/m1/s1 |
InChIKey |
IZPRENFHTIBCLS-CNKGYHKASA-N |
Molecular Weight |
294.435 g/mol |
SMILES |
OC(C[C@]1([C@]2(C([C@]([C@]2(CC[C@]1(C)[H])[H])(CCCC(C)C)C)=O)[H])[H])=O |
SPLASH |
splash10-0006-0930000000-52796ed72d81b50ea0e1 |
Source of Spectrum |
F-36-3258-0 |
Synonyms |
[(1R,2R,3R,6S,7S)-3,7-dimethyl-7-(4-methylpentyl)-8-oxobicyclo[4.2.0]oct-2-yl]acetic acid
[1R-(1.alpha.,2.beta.,3.beta.,6.alpha.,7.alpha.,8.beta.)]-8-oxo-3,7-dimethyl-7-(4-methylpentyl)bicyclo[4.2.0]octane-2-acetic acid |
Wiley ID |
1297468 |