| 2D Structure | |
| CID | 5321018 |
| Target | / |
| IUPAC Name | (4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one |
| InChI | InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1 |
| InChI Key | ZTVSGQPHMUYCRS-SWLSCSKDSA-N |
| Canonical SMILES | CC1=C2CC3C(=C)CCCC3(C=C2OC1=O)C |
| Isomeric SMILES | CC1=C2C[C@H]3C(=C)CCC[C@@]3(C=C2OC1=O)C |
| Molecular Formula | C15H18O2 |
| Molecular Weight | 230.30 |
| synonyms | ['Atractylenolide I', '73069-13-3', 'Atractylenolide-1', 'AtractylenolideI', 'Atractylenolide 1', 'Atractylenolide-I', '(4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one', 'CHEMBL449520', 'MFCD09037395', 'Atractylenolide I (Standard)', 'SCHEMBL1898423', 'HY-N0201R', 'DTXSID901316467', 'HMS3886N08', '(4aS,8aS)-3,8a-dimethyl-5-methylene-4a,5,6,7,8,8a-hexahydronaphtho[2,3-b]furan-2(4H)-one', 'HY-N0201', 'BDBM50241939', 's8291', 'Atractylenolide I, >=98% (HPLC)', 'AKOS025119313', 'CCG-266793', 'CCG-266794', 'CS-3669', 'FA73867', 'AC-34011', 'AS-77802', 'DA-71114', 'C17885', 'Q63396593', '8,12-EPOXYEUDESMA-4(14),7(11),8-TRIEN-12-ONE', '(4AS,8AS)-3,8A-DIMETHYL-5-METHYLIDENE-4H,4AH,6H,7H,8H-NAPHTHO[2,3-B]FURAN-2-ONE'] |
From Pubchem