[(3S,5S,6R,7R,8S,9S,10S,11S,13S,14S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-10,13-dimethyl-7-oxidanyl-spiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-6-yl] benzoate

Systemtic Name: [(3S,5S,6R,7R,8S,9S,10S,11S,13S,14S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-10,13-dimethyl-7-oxidanyl-spiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-6-yl] benzoate Openeye Name: [(3S,5S,6R,7R,8S,9S,10S,11S,13S,14S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-10,13-dimethyl-spiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-6-yl] benzoate CAS Name: benzoic acid [(3S,5S,6R,7R,8S,9S,10S,11S,13S,14S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-10,13-dimethyl-6-spiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]yl] ester IUPAC Name: [(3S,5S,6R,7R,8S,9S,10S,11S,13S,14S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-6-yl] benzoate Traditional Name: benzoic acid [(3S,5S,6R,7R,8S,9S,10S,11S,13S,14S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-10,13-dimethyl-spiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-6-yl] ester Formula: C40H66O7Si2 MolecularWeight: 715.11884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1C(C(C3C2C(CC4(C3CCC45OCCO5)C)O[Si](C)(C)C(C)(C)C)O)OC(=O)C6=CC=CC=C6)O[Si](C)(C)C(C)(C)C

Isomeric SMILES

C[C@]12CC[C@@H](C[C@@H]1[C@H]([C@@H]([C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC45OCCO5)C)O[Si](C)(C)C(C)(C)C)O)OC(=O)C6=CC=CC=C6)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C40H66O7Si2/c1-36(2,3)48(9,10)46-27-18-20-38(7)29(24-27)34(45-35(42)26-16-14-13-15-17-26)33(41)31-28-19-21-40(43-22-23-44-40)39(28,8)25-30(32(31)38)47-49(11,12)37(4,5)6/h13-17,27-34,41H,18-25H2,1-12H3/t27-,28-,29+,30-,31-,32-,33+,34+,38-,39-/m0/s1