(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-(2-methylpropylamino)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Systemtic Name: (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-(2-methylpropylamino)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Openeye Name: (3S,8S,9S,10R,13S,14S,17R)-17-[(1S)-2-(isobutylamino)-1-methyl-ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol CAS Name: (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-(2-methylpropylamino)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol IUPAC Name: (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-(2-methylpropylamino)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Traditional Name: (3S,8S,9S,10R,13S,14S,17R)-17-[(1S)-2-(isobutylamino)-1-methyl-ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Formula: C26H45NO MolecularWeight: 387.6416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

Isomeric SMILES

C[C@H](CNCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

InChI

InChI=1S/C26H45NO/c1-17(2)15-27-16-18(3)22-8-9-23-21-7-6-19-14-20(28)10-12-25(19,4)24(21)11-13-26(22,23)5/h6,17-18,20-24,27-28H,7-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1