(E)-4-[(4S,4aS,5S,8S,8aS)-3,4a,5-trimethyl-8-oxidanyl-9-oxidanylidene-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl]-2-methyl-but-2-enoic acid

Systemtic Name: (E)-4-[(4S,4aS,5S,8S,8aS)-3,4a,5-trimethyl-8-oxidanyl-9-oxidanylidene-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl]-2-methyl-but-2-enoic acid Openeye Name: (E)-4-[(4S,4aS,5S,8S,8aS)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f]benzofuran-4-yl]-2-methyl-but-2-enoic acid CAS Name: (E)-4-[(4S,4aS,5S,8S,8aS)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f]benzofuran-4-yl]-2-methyl-2-butenoic acid IUPAC Name: (E)-4-[(4S,4aS,5S,8S,8aS)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl]-2-methylbut-2-enoic acid Traditional Name: (E)-4-[(4S,4aS,5S,8S,8aS)-8-hydroxy-9-keto-3,4a,5-trimethyl-4,5,6,7,8,8a-hexahydrobenzo[f]benzofuran-4-yl]-2-methyl-but-2-enoic acid Formula: C20H26O5 MolecularWeight: 346.41744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C2C1(C(C3=C(C2=O)OC=C3C)CC=C(C)C(=O)O)C)O

Isomeric SMILES

C[C@H]1CC[C@@H]([C@@H]2[C@@]1([C@@H](C3=C(C2=O)OC=C3C)C/C=C(\C)/C(=O)O)C)O

InChI

InChI=1S/C20H26O5/c1-10(19(23)24)5-7-13-15-11(2)9-25-18(15)17(22)16-14(21)8-6-12(3)20(13,16)4/h5,9,12-14,16,21H,6-8H2,1-4H3,(H,23,24)/b10-5+/t12-,13+,14-,16-,20-/m0/s1