Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
(1S,2R,4R,7E)-4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one 20554-84-1 11972532
Structure Other Information
Canonical SMILES CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C
Iso SMILES C/C/1=CCC[C@@]2([C@H](O2)[C@@H]3C(CC1)C(=C)C(=O)O3)C
InChI InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11?,12-,13+,15+/m0/s1
InChI Key KTEXNACQROZXEV-HMULZPFASA-N
Formula C15H20O3
Mol Weight 248.318
XlogP3 2.3
Charge 0

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