methyl 2-[2-[(8R,9S,13S,14S,16R,17S)-17-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]ethyl]-8-(oxan-2-yloxy)-2-[6-(oxan-2-yloxy)hexyl]octanoate

Systemtic Name: methyl 2-[2-[(8R,9S,13S,14S,16R,17S)-17-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]ethyl]-8-(oxan-2-yloxy)-2-[6-(oxan-2-yloxy)hexyl]octanoate Openeye Name: methyl 2-[2-[(8R,9S,13S,14S,16R,17S)-17-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]ethyl]-8-tetrahydropyran-2-yloxy-2-(6-tetrahydropyran-2-yloxyhexyl)octanoate CAS Name: 2-[2-[(8R,9S,13S,14S,16R,17S)-17-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]ethyl]-8-(2-oxanyloxy)-2-[6-(2-oxanyloxy)hexyl]octanoic acid methyl ester IUPAC Name: methyl 2-[2-[(8R,9S,13S,14S,16R,17S)-17-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]ethyl]-8-(oxan-2-yloxy)-2-[6-(oxan-2-yloxy)hexyl]octanoate Traditional Name: 2-[2-[(8R,9S,13S,14S,16R,17S)-17-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]ethyl]-8-tetrahydropyran-2-yloxy-2-(6-tetrahydropyran-2-yloxyhexyl)caprylic acid methyl ester Formula: C52H88O8Si MolecularWeight: 869.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(C2O[Si](C)(C)C(C)(C)C)CCC(CCCCCCOC4CCCCO4)(CCCCCCOC5CCCCO5)C(=O)OC)CCC6=C3C=CC(=C6)OC

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O[Si](C)(C)C(C)(C)C)CCC(CCCCCCOC4CCCCO4)(CCCCCCOC5CCCCO5)C(=O)OC)CCC6=C3C=CC(=C6)OC

InChI

InChI=1S/C52H88O8Si/c1-50(2,3)61(7,8)60-48-40(38-45-44-25-23-39-37-41(54-5)24-26-42(39)43(44)28-31-51(45,48)4)27-32-52(49(53)55-6,29-15-9-11-17-33-56-46-21-13-19-35-58-46)30-16-10-12-18-34-57-47-22-14-20-36-59-47/h24,26,37,40,43-48H,9-23,25,27-36,38H2,1-8H3/t40-,43-,44-,45+,46?,47?,48+,51+,52?/m1/s1