[(2S)-2-acetyloxy-2-[(5R,10S,13S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] ethanoate

Systemtic Name: [(2S)-2-acetyloxy-2-[(5R,10S,13S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] ethanoate Openeye Name: [(2S)-2-acetoxy-2-[(5R,10S,13S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate CAS Name: acetic acid [(2S)-2-acetyloxy-2-[(5R,10S,13S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] ester IUPAC Name: [(2S)-2-acetyloxy-2-[(5R,10S,13S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate Traditional Name: acetic acid [(2S)-2-acetoxy-2-[(5R,10S,13S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] ester Formula: C25H40O4 MolecularWeight: 404.5827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@H](C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CCCC4)C)C)OC(=O)C

InChI

InChI=1S/C25H40O4/c1-16(26)28-15-23(29-17(2)27)22-11-10-20-19-9-8-18-7-5-6-13-24(18,3)21(19)12-14-25(20,22)4/h18-23H,5-15H2,1-4H3/t18-,19?,20?,21?,22?,23-,24+,25+/m1/s1