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

Systemtic Name: [(3S,5S,8R,9S,10S,12R,13R,16S,17S)-3,12-diacetyloxy-17-ethanoyl-10,13-dimethyl-17-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,16-dodecahydrocyclopenta[a]phenanthren-16-yl] sulfate; tetrabutylazanium Openeye Name: [(3S,5S,8R,9S,10S,12R,13R,16S,17S)-3,12-diacetoxy-17-acetyl-10,13-dimethyl-17-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,16-dodecahydrocyclopenta[a]phenanthren-16-yl] sulfate; tetrabutylammonium CAS Name: [(3S,5S,8R,9S,10S,12R,13R,16S,17S)-17-acetyl-3,12-diacetyloxy-10,13-dimethyl-17-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,16-dodecahydrocyclopenta[a]phenanthren-16-yl] sulfate; tetrabutylammonium IUPAC Name: [(3S,5S,8R,9S,10S,12R,13R,16S,17S)-17-acetyl-3,12-diacetyloxy-10,13-dimethyl-17-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,16-dodecahydrocyclopenta[a]phenanthren-16-yl] sulfate; tetrabutylazanium Traditional Name: [(3S,5S,8R,9S,10S,12R,13R,16S,17S)-3,12-diacetoxy-17-acetyl-10,13-dimethyl-17-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,16-dodecahydrocyclopenta[a]phenanthren-16-yl] sulfate; tetrabutylammonium Formula: C44H79NO10SSi MolecularWeight: 842.24926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.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

CCCC[N+](CCCC)(CCCC)CCCC.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.C16H36N/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;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h15,19-22,24-25H,9-14H2,1-8H3,(H,32,33,34);5-16H2,1-4H3/q;+1/p-1/t19-,20-,21+,22-,24+,25-,26-,27+,28+;/m0./s1