| 2D Structure | |
| CID | 72724 |
| Target | / |
| IUPAC Name | (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one |
| 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 |
| Canonical SMILES | CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C |
| Isomeric SMILES | C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)C3=C)C |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.32 |
| synonyms | ['Alantolactone', '546-43-0', 'helenine', 'helenin', 'CHEBI:2540', 'AI3-31147', 'UNII-M7GSN5Q1M6', 'EINECS 208-899-3', 'M7GSN5Q1M6', 'NSC 93131', 'NSC 302289', 'NSC-93131', 'ALANTOLACTONE [MI]', '(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one', 'Alantic anhydride', 'DTXSID90877864', 'NSC-333843', '4alphaH-Eudesma-5,11(13)-dien-12-oic acid, 8beta-hydroxy-, gamma-lactone', 'Naphtho(2,3-b)furan-2(3H)-one, 3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, (3aR-(3a alpha,5beta,8a beta,9a alpha))-', 'Helenine?', '(+)-Alantolactone', '8.BETA.-HYDROXY-4.ALPHA.H-EUDESM-5-EN-12-OIC ACID .GAMMA.-LACTONE', '(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-3a,5,6,7,8,8a,9,9a-octahydronaphtho(2,3-b)furan-2(3H)-one', 'DTXCID701015930', '8BETA-HYDROXY-4ALPHAH-EUDESM-5-EN-12-OIC ACID GAMMA-LACTONE', '4alphaH-Eudesma-5,11(13)-dien-12-oic acid, 8beta-hydroxy-, gamma-lactone (8CI)', '208-899-3', '215-803-3', 'Eupatal', 'Alant camphor', 'Inula camphor', 'Elecampane camphor', 'NSC93131', 'CHEMBL136356', '(3aR,5S,8aR,9aR)-5,8a-Dimethyl-3-methylene-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one', 'Naphtho[2,3-b]furan-2(3H)-one,3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-,(3aR,5S,8aR,9aR)-', '(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one', '(3aR,5S,8aR,9aR)-3a,5,6,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one', 'Spectrum_000297', '(+)-Alantolactone; Alant camphor; Inula camphor', 'Alantolactone (Standard)', 'Spectrum2_000297', 'Spectrum3_001358', 'Spectrum4_001772', 'Spectrum5_000383', 'Epitope ID:119691', 'BSPBio_003175', 'KBioGR_002284', 'KBioSS_000777', 'SPECTRUM310010', 'SCHEMBL155169', 'SPBio_000234', 'HY-N0038R', 'KBio2_000777', 'KBio2_003345', 'KBio2_005913', 'KBio3_002395', 'Alantolactone, >=98% (HPLC)', 'PXOYOCNNSUAQNS-AGNJHWRGSA-N', 'GLXC-02854', 'HY-N0038', 'BDBM50096873', 'CCG-39639', 's8318', 'AKOS015906135', 'CS-3595', 'FA65639', 'LMPR0103190013', 'SDCCGMLS-0066583.P001', 'NCGC00178225-01', 'NCGC00178225-02', 'NCGC00178225-05', '(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f]benzofuran-2-one', '(3AR-(3aalpha,5beta,8abeta,9aalpha))-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylenenaphtho(2,3-b)furan-2(3H)-one', 'AC-31414', 'BS-17042', 'NCI60_042073', 'C09289', 'Q21099633', '4.alpha.H-Eudesma-5, 8.beta.-hydroxy-, .gamma.-lactone', '[3aR-(3a alpha,5 beta,8a beta,9a alpha)]-3a,5,6,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one', 'Naphtho[2, 3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, [3aR-(3a.alpha.,5.beta.,8a.beta.,9a.alpha.)]-', 'Naphtho[2,3-b]furan-2(3H)-one, 3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, (3aR,5S,8aR,9aR)-'] |
From Pubchem