[(3R,5R,8S,9S,10R,13S,14S,17S)-17-ethanoyl-5,10,13-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Systemtic Name: [(3R,5R,8S,9S,10R,13S,14S,17S)-17-ethanoyl-5,10,13-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate Openeye Name: [(3R,5R,8S,9S,10R,13S,14S,17S)-17-acetyl-5,10,13-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate CAS Name: sulfuric acid [(3R,5R,8S,9S,10R,13S,14S,17S)-17-acetyl-5,10,13-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3R,5R,8S,9S,10R,13S,14S,17S)-17-acetyl-5,10,13-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [(3R,5R,8S,9S,10R,13S,14S,17S)-17-acetyl-5,10,13-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C22H36O5S MolecularWeight: 412.58324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2C1(CCC3C2CCC4(C3(CCC(C4)OS(=O)(=O)O)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H36O5S/c1-14(23)17-5-6-18-16-8-10-20(2)13-15(27-28(24,25)26)7-12-22(20,4)19(16)9-11-21(17,18)3/h15-19H,5-13H2,1-4H3,(H,24,25,26)/t15-,16+,17-,18+,19+,20-,21-,22-/m1/s1