[(8R,9S,13S,14S,17S)-13-methyl-3,4-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate

Systemtic Name: [(8R,9S,13S,14S,17S)-13-methyl-3,4-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate Openeye Name: [(8R,9S,13S,14S,17S)-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate CAS Name: sulfuric acid [(8R,9S,13S,14S,17S)-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,13S,14S,17S)-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate Traditional Name: sulfuric acid [(8R,9S,13S,14S,17S)-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C18H24O6S MolecularWeight: 368.44456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OS(=O)(=O)O)CCC4=C3C=CC(=C4O)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OS(=O)(=O)O)CCC4=C3C=CC(=C4O)O

InChI

InChI=1S/C18H24O6S/c1-18-9-8-11-10-4-6-15(19)17(20)13(10)3-2-12(11)14(18)5-7-16(18)24-25(21,22)23/h4,6,11-12,14,16,19-20H,2-3,5,7-9H2,1H3,(H,21,22,23)/t11-,12-,14+,16+,18+/m1/s1