[(3S,5S,8R,9S,10S,12R,13R,16S,17S)-12-acetyloxy-17-ethanoyl-10,13-dimethyl-16-sulfooxy-17-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,5S,8R,9S,10S,12R,13R,16S,17S)-12-acetyloxy-17-ethanoyl-10,13-dimethyl-16-sulfooxy-17-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,5S,8R,9S,10S,12R,13R,16S,17S)-12-acetoxy-17-acetyl-10,13-dimethyl-16-sulfooxy-17-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,5S,8R,9S,10S,12R,13R,16S,17S)-17-acetyl-12-acetyloxy-10,13-dimethyl-16-sulfooxy-17-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5S,8R,9S,10S,12R,13R,16S,17S)-17-acetyl-12-acetyloxy-10,13-dimethyl-16-sulfooxy-17-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,5S,8R,9S,10S,12R,13R,16S,17S)-12-acetoxy-17-acetyl-10,13-dimethyl-16-sulfoxy-17-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C28H44O10SSi MolecularWeight: 600.79346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(C=C2C1(C(CC3C2CCC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)C)OS(=O)(=O)O)O[Si](C)(C)C

Isomeric SMILES

CC(=O)[C@]1([C@H](C=C2[C@@]1([C@@H](C[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)OC(=O)C)C)OS(=O)(=O)O)O[Si](C)(C)C

InChI

InChI=1S/C28H44O10SSi/c1-16(29)28(38-40(6,7)8)25(37-39(32,33)34)15-23-21-10-9-19-13-20(35-17(2)30)11-12-26(19,4)22(21)14-24(27(23,28)5)36-18(3)31/h15,19-22,24-25H,9-14H2,1-8H3,(H,32,33,34)/t19-,20-,21+,22-,24+,25-,26-,27+,28+/m0/s1