[(3S,5R,10S,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-methylprop-2-enoate

Systemtic Name: [(3S,5R,10S,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-methylprop-2-enoate Openeye Name: [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxo-3-pyranyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid [(3S,5R,10S,13R,14S,17R)-14-hydroxy-17-(6-ketopyran-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C28H38O5 MolecularWeight: 454.59832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)C

Isomeric SMILES

CC(=C)C(=O)O[C@H]1CC[C@]2([C@@H](C1)CCC3C2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)C

InChI

InChI=1S/C28H38O5/c1-17(2)25(30)33-20-9-12-26(3)19(15-20)6-7-23-22(26)10-13-27(4)21(11-14-28(23,27)31)18-5-8-24(29)32-16-18/h5,8,16,19-23,31H,1,6-7,9-15H2,2-4H3/t19-,20+,21-,22?,23?,26+,27-,28+/m1/s1