Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Alantolactone / Helenin 546-43-0 72724
Structure Other Information
Canonical SMILES CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C
Iso SMILES C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)C3=C)C
InChI InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1
InChI Key PXOYOCNNSUAQNS-AGNJHWRGSA-N
Formula C15H20O2
Mol Weight 232.318
XlogP3 3.7
Charge 0

Click structure image, you can go to pubchem link...

Synonyms Information
CAS Name (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f]benzofuran-2-one
IUPAC Name (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f]benzofuran-2-one
Openeye Name (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Systematic Name (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Tratitional Name (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one