(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(methylamino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol hydrate

Systemtic Name: (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(methylamino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol hydrate Openeye Name: (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(methylamino)thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol hydrate CAS Name: (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(methylamino)-4-thiazolyl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol hydrate IUPAC Name: (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(methylamino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol hydrate Traditional Name: (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(methylamino)thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol hydrate Formula: C23H36N2O3S MolecularWeight: 420.60854

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C=C1CCC3C2CCC4(C3CCC4(C5=CSC(=N5)NC)O)C)O.O

Isomeric SMILES

C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C5=CSC(=N5)NC)O)C)O.O

InChI

InChI=1S/C23H34N2O2S.H2O/c1-21-9-6-15(26)12-14(21)4-5-16-17(21)7-10-22(2)18(16)8-11-23(22,27)19-13-28-20(24-3)25-19;/h12-13,15-18,26-27H,4-11H2,1-3H3,(H,24,25);1H2/t15-,16+,17-,18-,21-,22-,23-;/m0./s1