[(3aR,6Z,9S,9aR,10R,11aS)-6-(butylsulfanylmethylidene)-9-(methoxymethyl)-9a,11a-dimethyl-5-oxidanyl-1,4,7-tris(oxidanylidene)-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] ethanoate

Systemtic Name: [(3aR,6Z,9S,9aR,10R,11aS)-6-(butylsulfanylmethylidene)-9-(methoxymethyl)-9a,11a-dimethyl-5-oxidanyl-1,4,7-tris(oxidanylidene)-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] ethanoate Openeye Name: [(3aR,6Z,9S,9aR,10R,11aS)-6-(butylsulfanylmethylene)-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] acetate CAS Name: acetic acid [(3aR,6Z,9S,9aR,10R,11aS)-6-[(butylthio)methylidene]-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[4,5-h][2]benzopyran-10-yl] ester IUPAC Name: [(3aR,6Z,9S,9aR,10R,11aS)-6-(butylsulfanylmethylidene)-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] acetate Traditional Name: acetic acid [(3aR,6Z,9S,9aR,10R,11aS)-6-[(butylthio)methylene]-5-hydroxy-1,4,7-triketo-9-(methoxymethyl)-9a,11a-dimethyl-2,3,3a,9,10,11-hexahydroinden[4,5-h]isochromen-10-yl] ester Formula: C27H34O8S MolecularWeight: 518.61906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC=C1C2=C(C(=O)C3=C(C2(C(OC1=O)COC)C)C(CC4(C3CCC4=O)C)OC(=O)C)O

Isomeric SMILES

CCCCS/C=C\1/C2=C(C(=O)C3=C([C@]2([C@H](OC1=O)COC)C)[C@@H](C[C@]4([C@H]3CCC4=O)C)OC(=O)C)O

InChI

InChI=1S/C27H34O8S/c1-6-7-10-36-13-15-21-24(31)23(30)20-16-8-9-18(29)26(16,3)11-17(34-14(2)28)22(20)27(21,4)19(12-33-5)35-25(15)32/h13,16-17,19,31H,6-12H2,1-5H3/b15-13-/t16-,17+,19+,26-,27-/m0/s1