Summary
Molecular formula: C17H16O8
SMILES: O=C1O[C@@H]2[C@@]3([C@H]1O)COC(=O)[C@]3(CC2)CC(=O)c1cc(O)ccc1OInChI: InChI=1S/C17H16O8/c18-8-1-2-10(19)9(5-8)11(20)6-16-4-3-12-17(16,7-24-15(16)23)13(21)14(22)25-12/h1-2,5,12-13,18-19,21H,3-4,6-7H2/t12-,13-,16-,17+/m0/s1InChIKey: BKXWDIMPBHNMLN-MGBSGCIJSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:O=C1CC23COC(=O)C2(CC(=O)c2ccccc2)CCC3O1
Scaffold Graph/Node level:OC1CC23COC(O)C2(CC(O)C2CCCCC2)CCC3O1
Scaffold Graph level:CC1CC2CCC3(CC(C)C4CCCCC4)C(C)CCC23C1
Chemical classification
Kingdom: Organic compounds
Super class: Organic oxygen compoundsClass: Organooxygen compounds
Sub class: Carbonyl compounds
Synonymous chemical names:(+)-applanatumol d
External chemical identifiers:CID_139587516; NPATLAS_NPA015887; CHEMSPIDER_78441377
Chemical structure download