Compound: Bilobalide
SMILES: O=C1O[C@@H]2OC(=O)[C@@H]([C@@]32[C@@]14[C@@H](OC(C4)=O)C[C@@]3(O)C(C)(C)C)O
InChIKey: MOLPUWBMSBJXER-YDGSQGCISA-N
Synonyms: Bilobalide, 33570-04-6, Bilobalid, M81D2O8H7U, CHEBI:3103, DTXSID10873207, (1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trione, 4H,5aH,9H-furo(2,3-b)furo(3',2':2,3)cyclopenta(1,2-c)furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, (3aS,5aR,8R,8aS,9R,10aS)-, (1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.0^{1,11}.0^{4,8}]tetradecane-2,6,13-trione, (3aS,8R,8aS,9R,10aS)-9-tert-butyl-8,9-dihydroxydihydro-9H-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 4H,5aH,9H-Furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, (3aS,5aR,8R,8aS,9R,10aS)-, (1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo(6.6.0.0^(1,11).0^(4,8))tetradecane-2,6,13-trione, (1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo(6.6.0.01,11.04,8)tetradecane-2,6,13-trione, (3aS,8R,8aS,9R,10aS)-9-tert-butyl-8,9-dihydroxydihydro-9H-furo(2,3-b)furo(3',2':2,3)cyclopenta(1,2-c)furan-2,4,7(3H,8H)-trione, RefChem:29988, DTXCID001765201, 608-892-9, (-)-Bilobalide, Bilobalide A, MFCD00238547, tert-butyl(dihydroxy)[?]trione, UNII-M81D2O8H7U, Bilobalide?, Bilobalide (NIST), MFCD00132880, Bilobalide (Standard), (-)-Bilobalide from Ginkgo biloba leaves, BILOBALIDE [MI], BILOBALIDE [WHO-DD], MLS000563448, SCHEMBL285824, GTPL2366, orb1304993, orb3139422, CHEMBL1318117, HY-N0076R, MOLPUWBMSBJXER-YDGSQGCISA-N, HMS2205O12, EX-A6793, HY-N0076, AKOS024282583, CCG-208160, CS-1517, EBC-616289, FB65801, NCGC00142501-01, NCGC00142501-02, 4H,5aH,9H-Furo(2,3-b)furo(3',2':2,3)cyclopenta(1,2-c)furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, (5aR-(3aS*,5aalpha,8beta,8aS*,9alpha,10aalpha))-, AS-17551, SMR000232342, ST057155, SY075000, BILOBALIDE (CONSTITUENT OF GINKGO) [DSC], Q418459, SR-01000712074, SR-01000712074-4, (-)-Bilobalide from Ginkgo biloba leaves, >=93% (HPLC), (1S,8S,12S,5R,14R)-14-(tert-butyl)-2,14-dihydroxy-4,6,11-trioxatetracyclo[6.6. 0.0<1,5>.0<8,12>]tetradecane-3,7,10-trione, (3aS,5aR,8R,8aS,9R,10aS)-9-tert-Butyl-8,9-dihydroxydihydro-4H,5aH,9H-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 4H,5aH,9H-Furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-,(3aS,5aR,8R,8aS,9R,10aS)-
Theoretical properties:
molecular_formula: C15H18O8
molecular_weight: 326.30 g/mol
exact_mass: 326.10016753 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 1
heavy_atom_count: 23
topological_polar_surface_area: 119 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Bilobalide is a terpenoid trilactone found in extracts of Ginkgo biloba.
chebi: A terpenoid trilactone found in extracts of <em>Ginkgo biloba</em>.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Bilobalide is a biologically active terpenic trilactone present in Ginkgo biloba.