(3S,8R,9S,10R,13S,14S,17R)-17-[2-(cyclohexylamino)-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-(cyclohexylamino)-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-(cyclohexylamino)thiazol-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-(cyclohexylamino)-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-(cyclohexylamino)-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-(cyclohexylamino)thiazol-4-yl]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Formula: C28H42N2O2S MolecularWeight: 470.71028

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C=C1CCC3C2CCC4(C3CCC4(C5=CSC(=N5)NC6CCCCC6)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)NC6CCCCC6)O)C)O

InChI

InChI=1S/C28H42N2O2S/c1-26-13-10-20(31)16-18(26)8-9-21-22(26)11-14-27(2)23(21)12-15-28(27,32)24-17-33-25(30-24)29-19-6-4-3-5-7-19/h16-17,19-23,31-32H,3-15H2,1-2H3,(H,29,30)/t20-,21+,22-,23-,26-,27-,28-/m0/s1