[10,13-dimethyl-17-(6-oxidanylidenepyran-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [10,13-dimethyl-17-(6-oxidanylidenepyran-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [10,13-dimethyl-17-(6-oxopyran-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [10,13-dimethyl-17-(6-oxo-2-pyranyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [10,13-dimethyl-17-(6-oxopyran-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [17-(6-ketopyran-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C26H36O4 MolecularWeight: 412.56164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C5=CC=CC(=O)O5)C)C

Isomeric SMILES

CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C5=CC=CC(=O)O5)C)C

InChI

InChI=1S/C26H36O4/c1-16(27)29-18-11-13-25(2)17(15-18)7-8-19-20-9-10-22(23-5-4-6-24(28)30-23)26(20,3)14-12-21(19)25/h4-6,17-22H,7-15H2,1-3H3