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

Systemtic Name: [(3S)-17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate Openeye Name: [(3S)-17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate CAS Name: (5E,8E,11E,14E,17E)-eicosa-5,8,11,14,17-pentaenoic acid [(3S)-17-(5-ethyl-6-methylheptan-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: [(3S)-17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate Traditional Name: (5E,8E,11E,14E,17E)-eicosa-5,8,11,14,17-pentaenoic acid [(3S)-17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C49H78O2 MolecularWeight: 699.14242

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCC(CC)C(C)C)C)C

Isomeric SMILES

CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O[C@H]1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCC(CC)C(C)C)C)C

InChI

InChI=1S/C49H78O2/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/h10-11,13-14,16-17,19-20,22-23,29,38-40,42-46H,8-9,12,15,18,21,24-28,30-37H2,1-7H3/b11-10+,14-13+,17-16+,20-19+,23-22+/t39?,40?,42-,43?,44?,45?,46?,48?,49?/m0/s1