[17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoate

Systemtic Name: [17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoate Openeye Name: [17-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoate CAS Name: (2E,4E,6E,8E,10E)-eicosa-2,4,6,8,10-pentaenoic acid [17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoate Traditional Name: (2E,4E,6E,8E,10E)-eicosa-2,4,6,8,10-pentaenoic acid [17-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C49H76O2 MolecularWeight: 697.12654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CC=CC=CC=CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)C=CC(CC)C(C)C)C)C

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)/C=C/C(CC)C(C)C)C)C

InChI

InChI=1S/C49H76O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-47(50)51-42-33-35-48(6)41(37-42)29-30-43-45-32-31-44(49(45,7)36-34-46(43)48)39(5)27-28-40(9-2)38(3)4/h17-29,38-40,42-46H,8-16,30-37H2,1-7H3/b18-17+,20-19+,22-21+,24-23+,26-25+,28-27+