2-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-14-methyl-hexadecanoate

Systemtic Name: 2-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-14-methyl-hexadecanoate Openeye Name: 2-[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-14-methyl-hexadecanoate CAS Name: 2-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-14-methylhexadecanoate IUPAC Name: 2-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-14-methylhexadecanoate Traditional Name: 2-[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-14-methyl-palmitate Formula: C44H77O2- MolecularWeight: 638.08098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCCCCCCCCC(C1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)C(=O)[O-]

Isomeric SMILES

CCC(C)CCCCCCCCCCCC([C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C)C(=O)[O-]

InChI

InChI=1S/C44H78O2/c1-8-33(4)20-16-14-12-10-9-11-13-15-17-22-37(42(45)46)35-27-29-43(6)36(31-35)23-24-38-40-26-25-39(34(5)21-18-19-32(2)3)44(40,7)30-28-41(38)43/h23,32-35,37-41H,8-22,24-31H2,1-7H3,(H,45,46)/p-1/t33?,34-,35+,37?,38+,39-,40+,41+,43+,44-/m1/s1