[(3S,8R,9S,10R,13S,14S,17R)-17-ethyl-10,13-dimethyl-3-oxidanyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate

Systemtic Name: [(3S,8R,9S,10R,13S,14S,17R)-17-ethyl-10,13-dimethyl-3-oxidanyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate Openeye Name: [(3S,8R,9S,10R,13S,14S,17R)-17-ethyl-3-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate CAS Name: sulfuric acid [(3S,8R,9S,10R,13S,14S,17R)-17-ethyl-3-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(3S,8R,9S,10R,13S,14S,17R)-17-ethyl-3-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate Traditional Name: sulfuric acid [(3S,8R,9S,10R,13S,14S,17R)-17-ethyl-3-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C21H34O5S MolecularWeight: 398.55666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC2C1(CCC3C2CCC4=CC(CCC34C)O)C)OS(=O)(=O)O

Isomeric SMILES

CC[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@H](CC[C@]34C)O)C)OS(=O)(=O)O

InChI

InChI=1S/C21H34O5S/c1-4-21(26-27(23,24)25)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h13,15-18,22H,4-12H2,1-3H3,(H,23,24,25)/t15-,16+,17-,18-,19-,20-,21+/m0/s1