| 2D Structure | |
| CID | 221071 |
| IUPAC Name | (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione |
| InChI | InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1 |
| InChI Key | XJHDMGJURBVLLE-BOCCBSBMSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.30 |
| synonyms | ['santonin', 'alpha-Santonin', '481-06-1', 'Semenen', 'Santoninum', 'Santoninic anhydride', '(-)-Santonin', 'L-alpha-Santonin', 'NSC-4900', '1VL8J38ERO', 'DTXSID7045312', 'CHEBI:16363', '(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione', 'DTXCID5025312', '(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione', '(3S,3AS,5AS)-3,5A,9-TRIMETHYL-3A,4,5,5A-TETRAHYDRONAPHTHO(1,2-B)FURAN-2,8(3H,9BH)-DIONE', '(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo(g)(1)benzofuran-2,8-dione', '(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho(1,2-b)furan-2,8(3H,4H)-dione', 'Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S-(3alpha,3aalpha,5abeta,9bbeta))-', 'CHEBI:26604', '(3R,3aR,5aR,9bR)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo(g)(1)benzofuran-2,8-dione', '207-560-7', '(-)-alpha-Santonin', '(-)-Santonine', 'MFCD00135865', 'NSC4900', '.alpha.-Santonin', 'C15H14O3', 'NSC 4900', '(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione', '(3S,5aS,9bS)-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)dione', 'l-.alpha.-Santonin', 'Santonin [JAN]', 'naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bS)-', '(-)-.alpha.-Santonin', 'Santonin [JAN:NF]', 'SR-01000635568', 'UNII-1VL8J38ERO', 'Santonin-a', 'NCGC00016461-01', 'Santonin (TN)', '(3S,3AS,5AS,9BS)-3A,5,5A,9B-TETRAHYDRO-3,5A,9-TRIMETHYLNAPHTHO(1,2-B)FURAN-2,8(3H,4H)-DIONE', '(3S,3aS,5aS,9bS)-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione', 'CAS-481-06-1', 'Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bS)-', '()-alpha-Santonin', 'EINECS 207-560-7', 'NSC 41311', 'Santonin (Standard)', 'SANTONINE', 'Santonin (JP18)', 'Spectrum_000790', 'SpecPlus_000318', 'AI3-19471', '(-)- alpha -Santonin', 'Prestwick0_001070', 'Prestwick1_001070', 'Prestwick2_001070', 'Prestwick3_001070', 'Spectrum2_000699', 'Spectrum3_001245', 'Spectrum4_001476', 'Spectrum5_000151', 'SANTONINUM [HPUS]', 'SANTONIN [MART.]', 'SANTONIN [WHO-DD]', 'UPCMLD-DP084', 'BSPBio_001060', 'BSPBio_002750', 'KBioGR_002051', 'KBioSS_001270', 'SPECTRUM300542', 'MLS002154141', 'DivK1c_006414', 'SPBio_000857', 'SPBio_002970', 'alpha-Santonin; (-)-Santonin', 'BPBio1_001166', 'CHEMBL259254', 'MEGxp0_001636', 'SCHEMBL1133565', '.ALPHA.-SANTONIN [MI]', 'UPCMLD-DP084:001', 'GTPL12448', 'HY-B1761R', 'KBio1_001358', 'KBio2_001270', 'KBio2_003838', 'KBio2_006406', 'KBio3_002250', '(-)-alpha-Santonin, >=99%', 'XJHDMGJURBVLLE-BOCCBSBMSA-N', 'HMS1571E22', 'HMS2098E22', 'HMS2268H12', 'HY-B1761', 'Tox21_110445', 'CCG-40021', 's3999', '11-Epiisoeusantona-1,4-dienic acid, 6alpha-hydroxy-3-oxo-, gamma-lactone', 'AKOS015895177', 'Tox21_110445_1', 'FS65157', 'LMPR0103190001', 'SDCCGMLS-0066491.P001', '(3S)-2,3,3a,4,5,5a,8,9bbeta-Octahydro-3,5abeta,9-trimethylnaphtho(1,2-b)furan-2,8-dion', 'Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, gamma-lactone, (11S)-(-)-', 'Naphtho(1,2-b)puran-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-', '(-)-alpha-Santonin, analytical standard', 'NCGC00161640-01', 'NCGC00161640-02', 'NCGC00161640-03', 'NCGC00263447-01', 'SMR000112520', 'SY231845', 'AB00376930', 'CS-0013789', 'NS00022216', 'S0521', 'EN300-34530', 'C02206', 'D00154', 'WLN: T B566 COV LV IHTT&J E1 I1 M1', 'A827469', 'AC-907/21098009', 'AJ-738/21061005', 'AK-861/20800026', 'Q413166', 'SR-01000635568-1', 'SR-01000635568-4', 'SR-01000635568-5', 'BRD-K58787433-001-05-4', 'BRD-K58787433-001-08-8', 'BRD-K58787433-001-12-0', 'Santonin, European Pharmacopoeia (EP) Reference Standard', 'Z359371114', '11-Epiisoeusantona-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone', 'Eudesma-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11S)-', '(11S)-6alpha-hydroxy-3-oxoeudesma-1,4-dien-12-oic acid gamma-lactone', '6alpha-hydroxy-3-oxo-11-epiisoeusantona-1,4-dienic acid gamma-lactone', 'Eudesma-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11S)-(-)-', 'Naphtho[1,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-', '3a,5,5a,9b-Tetrahydro-3,5a,9-trimethyl-naphtho[1,2-b]puran-2,8(3H,4H)-dione', 'Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, gamma-lactone, (11S)-', '(3S,3aS,5aS,9bS)-2,3,3a,4,5,5a,8,9b-Octahydro-3,5a,9-trimethylnaphtho(1,2-b)furan-2,8-dione', '(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-2H,3H,3aH,4H,5H,5aH,8H,9bH-naphtho[1,2-b]furan-2,8-dione', '(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione', '1,3,4,4a,7-Hexahydro-1-hydroxy-.alpha., 4a,8-trimethyl-7-oxo-2-naphthaleneacetic acid .gamma.-lactone', 'InChI=1/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s', 'Naphtho[1,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,9b.beta.)]-'] |
From Pubchem