[2-[[6-[[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]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hexadecanoate

Systemtic Name: [2-[[6-[[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]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hexadecanoate Openeye Name: [2-[[6-[[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]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3,4,5,6-tetrahydroxy-cyclohexyl] hexadecanoate CAS Name: hexadecanoic acid [2-[[6-[[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]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-3,4,5,6-tetrahydroxycyclohexyl] ester IUPAC Name: [2-[[6-[[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]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5,6-tetrahydroxycyclohexyl] hexadecanoate Traditional Name: palmitic acid [2-[[6-[[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]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3,4,5,6-tetrahydroxy-cyclohexyl] ester Formula: C57H100O12 MolecularWeight: 977.3967

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1C(C(C(C(C1OCC2C(C(C(C(O2)OC3CCC4(C5CCC6(C(C5CC=C4C3)CCC6C(C)CCC(CC)C(C)C)C)C)O)O)O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1C(C(C(C(C1OCC2C(C(C(C(O2)OC3CCC4(C5CCC6(C(C5CC=C4C3)CCC6C(C)CCC(CC)C(C)C)C)C)O)O)O)O)O)O)O

InChI

InChI=1S/C57H100O12/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(58)69-54-51(64)49(62)48(61)50(63)53(54)66-34-44-46(59)47(60)52(65)55(68-44)67-39-29-31-56(6)38(33-39)25-26-40-42-28-27-41(57(42,7)32-30-43(40)56)36(5)23-24-37(9-2)35(3)4/h25,35-37,39-44,46-55,59-65H,8-24,26-34H2,1-7H3