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

Systemtic Name: [(3R)-3-[(3S,8S,9S,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] ethanoate Openeye Name: [(3R)-3-[(3S,8S,9S,10R,13R,14S,17R)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] acetate CAS Name: acetic acid [(3R)-3-[(3S,8S,9S,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] ester IUPAC Name: [(3R)-3-[(3S,8S,9S,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] acetate Traditional Name: acetic acid [(3R)-3-[(3S,8S,9S,10R,13R,14S,17R)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] ester Formula: C27H42O4 MolecularWeight: 430.61998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H42O4/c1-17(12-15-30-18(2)28)23-8-9-24-22-7-6-20-16-21(31-19(3)29)10-13-26(20,4)25(22)11-14-27(23,24)5/h6,17,21-25H,7-16H2,1-5H3/t17-,21+,22+,23-,24+,25+,26+,27-/m1/s1