| 2D Structure | |
| CID | 12313355 |
| IUPAC Name | (1S,2S,4S,6R,7S,9R,13R,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-14-ene-3,11,16-trione |
| InChI | InChI=1S/C21H28O6/c1-9-6-13(22)19(25)21(4)11(9)7-14-20(3)12(8-15(23)27-14)10(2)17(26-5)16(24)18(20)21/h9,11-14,18,22H,6-8H2,1-5H3/t9-,11+,12+,13+,14-,18+,20-,21+/m1/s1 |
| InChI Key | GESOKLRVLMVNMO-WCAPFRRUSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C21H28O6 |
| Molecular Weight | 376.4 |
| synonyms | ['picrasin B', '26121-56-2', 'Nigakilactone I', '(1S,2S,4S,6R,7S,9R,13R,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-14-ene-3,11,16-trione', '(1S,2S,4S,6R,7S,9R,13R,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo(7.7.1.02,7.013,17)heptadec-14-ene-3,11,16-trione', 'RefChem:174187', 'Picrasin-B', 'Nigakilactone I; Simalikalactone B', 'orb1681895', 'CHEMBL4544451', 'SCHEMBL30336878', 'CHEBI:80890', 'HY-N3068', 'AKOS032948756', 'FS-9674', 'DA-66717', 'CS-0023149', 'C17050', 'H63671', 'Q27151386', '(2|A)-2-Hydroxy-12-methoxypicras-12-ene-1,11,16-trione'] |
From Pubchem