| 2D Structure | |
| CID | 442138 |
| IUPAC Name | (1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.01,16.02,14.04,13.05,9.020,24]hexacosa-3,25-diene-7,22-dione |
| InChI | InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16-,17-,18+,20-,21-,22-,23-,24-,25-,28-,29-,30+/m0/s1 |
| InChI Key | PZHWYURJZAPXAN-ILOFNVQHSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C30H40O6 |
| Molecular Weight | 496.6 |
| synonyms | ['Absinthin', '1362-42-1', 'Absynthin', '(+)-absinthin', 'OE5992O64P', 'CHEBI:2366', 'DTXSID70929294', 'NSC-407315', '(1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.0(1,16).0(2,14).0(4,13).0(5,9).0(20,24)]hexacosa-3,25-diene-7,22-dione', '(1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo(13.9.2.0(1,16).0(2,14).0(4,13).0(5,9).0(20,24))hexacosa-3,25-diene-7,22-dione', '(1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo(13.9.2.01,16.02,14.04,13.05,9.020,24)hexacosa-3,25-diene-7,22-dione', '(1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.01,16.02,14.04,13.05,9.020,24]hexacosa-3,25-diene-7,22-dione', 'DTXCID601514060', '(1R,2R,5R,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo(13.9.2.01,16.02,14.04,13.05,9.020,24)hexacosa-3,25-diene-7,22-dione', 'Absinthiin', "(3S,3aS,6S,6aR,6bS,7S,7aR,8S,10aS,11S,13aS,13bR,13cR,14bS)-3,3a,4,5,6,6a,6b,7,7a,8,9,10,10a,13a,13c,14b-Hexadecahydro-6,8-dihydroxy-3,6,8,11,14,15-hexamethyl-2H-7,13b-ethenopentaleno[1'',2'':6,7;5'',4'':6',7']dicyclohepta[1,2-b:1',2'-b']difuran-2,12(11H)-dione", 'UNII-OE5992O64P', 'NSC 407315', 'ABSINTHIN [MI]', 'SCHEMBL873059', 'orb1689856', 'CHEMBL4647301', 'GTPL12458', 'HY-N0742', 's3288', 'FA71562', 'FS-6929', 'AC-35046', 'DA-48568', 'CS-0009774', 'NS00093995', 'C09286', 'Q332313', 'CHIEF BITTER PRINCIPLE OF ARTEMISIA ABSINTHIUM'] |
From Pubchem