(13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate

Systemtic Name: (13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate Openeye Name: (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate CAS Name: (5E,8E,11E,14E)-eicosa-5,8,11,14-tetraenoic acid (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester IUPAC Name: (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate Traditional Name: (5E,8E,11E,14E)-eicosa-5,8,11,14-tetraenoic acid (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester Formula: C38H54O3 MolecularWeight: 558.83356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C

Isomeric SMILES

CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C

InChI

InChI=1S/C38H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37(40)41-36-26-25-35-34-23-21-30-29-31(39)22-24-32(30)33(34)27-28-38(35,36)2/h7-8,10-11,13-14,16-17,22,24,29,33-36,39H,3-6,9,12,15,18-21,23,25-28H2,1-2H3/b8-7+,11-10+,14-13+,17-16+