[(13S,17S)-2-ethoxy-13-ethyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N-ethanoylsulfamate

Systemtic Name: [(13S,17S)-2-ethoxy-13-ethyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N-ethanoylsulfamate Openeye Name: [(13S,17S)-2-ethoxy-13-ethyl-17-hydroxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N-acetylsulfamate CAS Name: N-acetylsulfamic acid [(13S,17S)-2-ethoxy-13-ethyl-17-hydroxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(13S,17S)-2-ethoxy-13-ethyl-17-hydroxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N-acetylsulfamate Traditional Name: N-acetylsulfamic acid [(13S,17S)-2-ethoxy-13-ethyl-17-hydroxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C23H33NO6S MolecularWeight: 451.57622

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OCC)OS(=O)(=O)NC(=O)C

Isomeric SMILES

CC[C@]12CCC3C(C1CC[C@@H]2O)CCC4=CC(=C(C=C34)OCC)OS(=O)(=O)NC(=O)C

InChI

InChI=1S/C23H33NO6S/c1-4-23-11-10-16-17(19(23)8-9-22(23)26)7-6-15-12-21(20(29-5-2)13-18(15)16)30-31(27,28)24-14(3)25/h12-13,16-17,19,22,26H,4-11H2,1-3H3,(H,24,25)/t16?,17?,19?,22-,23-/m0/s1