| 2D Structure | |
| CID | 23626638 |
| Target | / |
| IUPAC Name | (1S,2S,3R,4R,7S,8R,10S,12R,14S,15S,17R,19S,20R)-15-(furan-3-yl)-3,4,8,20-tetrahydroxy-2,7,14,20-tetramethyl-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icosan-5-one |
| InChI | InChI=1S/C25H32O9/c1-20-9-13-17(22(3,29)25(20)16(33-25)7-12(20)11-5-6-31-10-11)21(2)15(32-13)8-14(26)23(4)24(21,30)18(27)19(28)34-23/h5-6,10,12-18,26-27,29-30H,7-9H2,1-4H3/t12-,13+,14+,15-,16+,17+,18-,20-,21+,22+,23-,24-,25+/m0/s1 |
| InChI Key | LJYUJPUTKALHOJ-ATUOXGKOSA-N |
| Canonical SMILES | CC12CC3C(C4(C(O3)CC(C5(C4(C(C(=O)O5)O)O)C)O)C)C(C16C(O6)CC2C7=COC=C7)(C)O |
| Isomeric SMILES | C[C@@]12C[C@@H]3[C@H]([C@]4([C@@H](O3)C[C@H]([C@]5([C@@]4([C@H](C(=O)O5)O)O)C)O)C)[C@@]([C@@]16[C@H](O6)C[C@H]2C7=COC=C7)(C)O |
| Molecular Formula | C25H32O9 |
| Molecular Weight | 476.5 |
| synonyms | ['Toonaciliatin G', '(1S,2S,3R,4R,7S,8R,10S,12R,14S,15S,17R,19S,20R)-15-(Furan-3-yl)-3,4,8,20-tetrahydroxy-2,7,14,20-tetramethyl-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icosan-5-one', '(1S,2S,3R,4R,7S,8R,10S,12R,14S,15S,17R,19S,20R)-15-(furan-3-yl)-3,4,8,20-tetrahydroxy-2,7,14,20-tetramethyl-6,11,18-trioxahexacyclo(10.8.0.02,10.03,7.014,19.017,19)icosan-5-one', '948556-30-7', 'CHEMBL4442271'] |
From Pubchem