Chemical Component Summary

Name(3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate
Synonymsbigelovin
Identifiers[(3aS,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] ethanoate
FormulaC17 H20 O5
Molecular Weight304.338
TypeNON-POLYMER
Isomeric SMILESC[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2
InChIInChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1
InChIKeyDCNRYQODUSSOKC-MMLVVLEOSA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count6
Bond Count44
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 3080597
ChEMBL CHEMBL486997
ChEBI CHEBI:69337