[(8R,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-13-methyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate

Systemtic Name: [(8R,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-13-methyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate Openeye Name: [(8R,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [(8R,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,10S,13S,14S,17S)-10-(hydroxymethyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [(8R,9S,10S,13S,14S,17S)-3-keto-13-methyl-10-methylol-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C28H36O4 MolecularWeight: 436.58304

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CCC35CO

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CC[C@]35CO

InChI

InChI=1S/C28H36O4/c1-27-15-14-24-22(9-8-20-17-21(30)13-16-28(20,24)18-29)23(27)10-11-25(27)32-26(31)12-7-19-5-3-2-4-6-19/h2-6,17,22-25,29H,7-16,18H2,1H3/t22-,23-,24-,25-,27-,28+/m0/s1