(1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-tri(propan-2-yl)silyl-prop-2-yn-1-ol

Systemtic Name: (1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-tri(propan-2-yl)silyl-prop-2-yn-1-ol Openeye Name: (1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-triisopropylsilyl-prop-2-yn-1-ol CAS Name: (1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-tri(propan-2-yl)silyl-2-propyn-1-ol IUPAC Name: (1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol Traditional Name: (1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-triisopropylsilyl-prop-2-yn-1-ol Formula: C47H72O2Si2 MolecularWeight: 725.24438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[Si](C#CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C)C)O)(C(C)C)C(C)C

Isomeric SMILES

CC(C)[Si](C#C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C)C)O)(C(C)C)C(C)C

InChI

InChI=1S/C47H72O2Si2/c1-33(2)50(34(3)4,35(5)6)31-28-44(48)43-25-24-41-40-23-22-36-32-37(26-29-46(36,10)42(40)27-30-47(41,43)11)49-51(45(7,8)9,38-18-14-12-15-19-38)39-20-16-13-17-21-39/h12-21,33-37,40-44,48H,22-27,29-30,32H2,1-11H3/t36-,37+,40-,41-,42-,43+,44+,46-,47-/m0/s1