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

Systemtic Name: [(3R,8R,9S,10R,13S,14S,17R)-17-acetyloxy-10,13-dimethyl-17-propa-1,2-dienyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3R,8R,9S,10R,13S,14S,17R)-17-acetoxy-10,13-dimethyl-17-propa-1,2-dienyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3R,8R,9S,10R,13S,14S,17R)-17-acetyloxy-10,13-dimethyl-17-propa-1,2-dienyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3R,8R,9S,10R,13S,14S,17R)-17-acetyloxy-10,13-dimethyl-17-propa-1,2-dienyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3R,8R,9S,10R,13S,14S,17R)-17-acetoxy-10,13-dimethyl-17-propa-1,2-dienyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C26H36O4 MolecularWeight: 412.56164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4(C=C=C)OC(=O)C)C)C

Isomeric SMILES

CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@]4(C=C=C)OC(=O)C)C)C

InChI

InChI=1S/C26H36O4/c1-6-12-26(30-18(3)28)15-11-23-21-8-7-19-16-20(29-17(2)27)9-13-24(19,4)22(21)10-14-25(23,26)5/h7,12,20-23H,1,8-11,13-16H2,2-5H3/t20-,21-,22+,23+,24+,25+,26+/m1/s1