[(1S,3R,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-acetyloxy-6-methyl-heptan-2-yl]-7-bromanyl-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ethanoate

Systemtic Name: [(1S,3R,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-acetyloxy-6-methyl-heptan-2-yl]-7-bromanyl-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ethanoate Openeye Name: [(1S,3R,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-acetoxy-1,5-dimethyl-hexyl]-7-bromo-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate CAS Name: acetic acid [(1S,3R,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-acetyloxy-6-methylheptan-2-yl]-7-bromo-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ester IUPAC Name: [(1S,3R,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-acetyloxy-6-methylheptan-2-yl]-7-bromo-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate Traditional Name: acetic acid [(1S,3R,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-acetoxy-1,5-dimethyl-hexyl]-7-bromo-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ester Formula: C37H63BrO5Si MolecularWeight: 695.88262

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)OC(=O)C)C1CCC2C1(CCC3C2C(C=C4C3(C(CC(C4)O[Si](C)(C)C(C)(C)C)OC(=O)C)C)Br)C

Isomeric SMILES

C[C@H](CCCC(C)(C)OC(=O)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3([C@H](C[C@@H](C4)O[Si](C)(C)C(C)(C)C)OC(=O)C)C)Br)C

InChI

InChI=1S/C37H63BrO5Si/c1-23(14-13-18-35(7,8)42-25(3)40)28-15-16-29-33-30(17-19-36(28,29)9)37(10)26(21-31(33)38)20-27(22-32(37)41-24(2)39)43-44(11,12)34(4,5)6/h21,23,27-33H,13-20,22H2,1-12H3/t23-,27-,28-,29+,30+,31-,32+,33+,36-,37+/m1/s1