(3-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) benzoate

Systemtic Name: (3-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) benzoate Openeye Name: (3-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) benzoate CAS Name: benzoic acid [13-methyl-3-(1-oxobutoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: (3-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) benzoate Traditional Name: benzoic acid (3-butyryloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester Formula: C29H34O4 MolecularWeight: 446.57786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4OC(=O)C5=CC=CC=C5)C

Isomeric SMILES

CCCC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4OC(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C29H34O4/c1-3-7-27(30)32-21-11-13-22-20(18-21)10-12-24-23(22)16-17-29(2)25(24)14-15-26(29)33-28(31)19-8-5-4-6-9-19/h4-6,8-9,11,13,18,23-26H,3,7,10,12,14-17H2,1-2H3