(1S,4E,6R,7S,11R,16R,18R)-4,6,11,18-tetramethyl-7-(2-oxidanylidenepropyl)-18-propyl-8,15,19-trioxabicyclo[14.3.0]nonadec-4-ene-9,14-dione

Systemtic Name: (1S,4E,6R,7S,11R,16R,18R)-4,6,11,18-tetramethyl-7-(2-oxidanylidenepropyl)-18-propyl-8,15,19-trioxabicyclo[14.3.0]nonadec-4-ene-9,14-dione Openeye Name: (1S,4E,6R,7S,11R,16R,18R)-7-acetonyl-4,6,11,18-tetramethyl-18-propyl-8,15,19-trioxabicyclo[14.3.0]nonadec-4-ene-9,14-dione CAS Name: (1S,4E,6R,7S,11R,16R,18R)-4,6,11,18-tetramethyl-7-(2-oxopropyl)-18-propyl-8,15,19-trioxabicyclo[14.3.0]nonadec-4-ene-9,14-dione IUPAC Name: (1S,4E,6R,7S,11R,16R,18R)-4,6,11,18-tetramethyl-7-(2-oxopropyl)-18-propyl-8,15,19-trioxabicyclo[14.3.0]nonadec-4-ene-9,14-dione Traditional Name: (1S,4E,6R,7S,11R,16R,18R)-7-acetonyl-4,6,11,18-tetramethyl-18-propyl-8,15,19-trioxabicyclo[14.3.0]nonadec-4-ene-9,14-quinone Formula: C26H42O6 MolecularWeight: 450.60808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC2C(O1)CCC(=CC(C(OC(=O)CC(CCC(=O)O2)C)CC(=O)C)C)C)C

Isomeric SMILES

CCC[C@@]1(C[C@@H]2[C@@H](O1)CC/C(=C/[C@H]([C@@H](OC(=O)C[C@@H](CCC(=O)O2)C)CC(=O)C)C)/C)C

InChI

InChI=1S/C26H42O6/c1-7-12-26(6)16-23-21(32-26)10-8-17(2)13-19(4)22(15-20(5)27)30-25(29)14-18(3)9-11-24(28)31-23/h13,18-19,21-23H,7-12,14-16H2,1-6H3/b17-13+/t18-,19-,21+,22+,23-,26-/m1/s1