| 2D Structure | |
| CID | 20055022 |
| IUPAC Name | [(3aR,4R,5Z,9E,11aS)-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2,3-dihydroxy-2-methylpropanoate |
| InChI | InChI=1S/C21H28O8/c1-12-6-5-7-15(10-27-14(3)23)9-17(29-20(25)21(4,26)11-22)18-13(2)19(24)28-16(18)8-12/h6,9,16-18,22,26H,2,5,7-8,10-11H2,1,3-4H3/b12-6+,15-9-/t16-,17+,18+,21?/m0/s1 |
| InChI Key | SQQDHMIYFXZFNM-AUULSJCKSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C21H28O8 |
| Molecular Weight | 408.4 |
| synonyms | ['Scabiolide', 'Scabiolide [MI]', 'UNII-EFH15717UP', 'EFH15717UP', 'NSC-109435', 'Propanoic acid, 2,3-dihydroxy-2-methyl-, 6-((acetyloxy)methyl)-2,3,3a,4,7,8,11,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester', '20055-57-6', '(3AS,4S,11ar)-6-((acetyloxy)methyl)-10-methyl-3-methylidene-2-oxo-2H,3H,3ah,4H,7H,8H,11H,11ah-cyclodeca(b)furan-4-yl (2R)-2,3-dihydroxy-2-methylpropanoic acid', '(3AS,4S,11ar)-6-[(acetyloxy)methyl]-10-methyl-3-methylidene-2-oxo-2H,3H,3ah,4H,7H,8H,11H,11ah-cyclodeca[b]furan-4-yl (2R)-2,3-dihydroxy-2-methylpropanoic acid', 'SCHEMBL4740713', 'Q27277153'] |
From Pubchem