[(3R,8R,9S,10R,13S,14S,17S)-3-ethoxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hexyl carbonate

Systemtic Name: [(3R,8R,9S,10R,13S,14S,17S)-3-ethoxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hexyl carbonate Openeye Name: [(3R,8R,9S,10R,13S,14S,17S)-3-ethoxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hexyl carbonate CAS Name: carbonic acid [(3R,8R,9S,10R,13S,14S,17S)-3-ethoxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hexyl ester IUPAC Name: [(3R,8R,9S,10R,13S,14S,17S)-3-ethoxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hexyl carbonate Traditional Name: carbonic acid [(3R,8R,9S,10R,13S,14S,17S)-3-ethoxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hexyl ester Formula: C28H46O4 MolecularWeight: 446.66244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)OC1CCC2C1(CCC3C2CCC4=CC(CCC34C)OCC)C

Isomeric SMILES

CCCCCCOC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@@H](CC[C@]34C)OCC)C

InChI

InChI=1S/C28H46O4/c1-5-7-8-9-18-31-26(29)32-25-13-12-23-22-11-10-20-19-21(30-6-2)14-16-27(20,3)24(22)15-17-28(23,25)4/h19,21-25H,5-18H2,1-4H3/t21-,22+,23+,24+,25+,27+,28+/m1/s1