(2R,4aR,6R,7S,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-6-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

Systemtic Name: (2R,4aR,6R,7S,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-6-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol Openeye Name: (2R,4aR,6R,7S,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-6-[[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol CAS Name: (2R,4aR,6R,7S,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-6-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol IUPAC Name: (2R,4aR,6R,7S,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-6-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol Traditional Name: (2R,4aR,6R,7S,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-6-[[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol Formula: C46H76O6Si MolecularWeight: 753.17754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC5C(C(C6C(O5)COC(O6)C7=CC=CC=C7)O[Si](C)(C)C(C)(C)C)O)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[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[C@H]5[C@H]([C@H]([C@H]6[C@H](O5)CO[C@H](O6)C7=CC=CC=C7)O[Si](C)(C)C(C)(C)C)O)C)C

InChI

InChI=1S/C46H76O6Si/c1-29(2)15-14-16-30(3)35-21-22-36-34-20-19-32-27-33(23-25-45(32,7)37(34)24-26-46(35,36)8)49-43-39(47)41(52-53(9,10)44(4,5)6)40-38(50-43)28-48-42(51-40)31-17-12-11-13-18-31/h11-13,17-18,29-30,32-43,47H,14-16,19-28H2,1-10H3/t30-,32+,33+,34+,35-,36+,37+,38-,39+,40-,41-,42-,43-,45+,46-/m1/s1