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

Systemtic Name: (3S,8R,9S,10R,13S,14S,17R)-17-(2-azanyl-1,3-thiazol-4-yl)-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Openeye Name: (3S,8R,9S,10R,13S,14S,17R)-17-(2-aminothiazol-4-yl)-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol CAS Name: (3S,8R,9S,10R,13S,14S,17R)-17-(2-amino-4-thiazolyl)-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol IUPAC Name: (3S,8R,9S,10R,13S,14S,17R)-17-(2-amino-1,3-thiazol-4-yl)-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Traditional Name: (3S,8R,9S,10R,13S,14S,17R)-17-(2-aminothiazol-4-yl)-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Formula: C22H32N2O2S MolecularWeight: 388.56668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C=C1CCC3C2CCC4(C3CCC4(C5=CSC(=N5)N)O)C)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)N)O)C)O

InChI

InChI=1S/C22H32N2O2S/c1-20-8-5-14(25)11-13(20)3-4-15-16(20)6-9-21(2)17(15)7-10-22(21,26)18-12-27-19(23)24-18/h11-12,14-17,25-26H,3-10H2,1-2H3,(H2,23,24)/t14-,15+,16-,17-,20-,21-,22-/m0/s1