[(13S,17R)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate

Systemtic Name: [(13S,17R)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate Openeye Name: [(13S,17R)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate CAS Name: sulfuric acid [(13S,17R)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(13S,17R)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate Traditional Name: sulfuric acid [(13S,17R)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(=CCC4=CC=CC=C34)C1CCC2OS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H22O4S/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)22-23(19,20)21/h2-5,7,14,16-17H,6,8-11H2,1H3,(H,19,20,21)/t14?,16?,17-,18+/m1/s1