[(5R,7R,8R,9R,10R,12S,13S,17R)-4,4,8,10,13-pentamethyl-7-oxidanyl-3-oxidanylidene-17-(2-oxidanyl-5-oxidanylidene-2H-furan-4-yl)-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-12-yl] ethanoate

Systemtic Name: [(5R,7R,8R,9R,10R,12S,13S,17R)-4,4,8,10,13-pentamethyl-7-oxidanyl-3-oxidanylidene-17-(2-oxidanyl-5-oxidanylidene-2H-furan-4-yl)-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-12-yl] ethanoate Openeye Name: [(5R,7R,8R,9R,10R,12S,13S,17R)-7-hydroxy-17-(2-hydroxy-5-oxo-2H-furan-4-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-12-yl] acetate CAS Name: acetic acid [(5R,7R,8R,9R,10R,12S,13S,17R)-7-hydroxy-17-(2-hydroxy-5-oxo-2H-furan-4-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-12-yl] ester IUPAC Name: [(5R,7R,8R,9R,10R,12S,13S,17R)-7-hydroxy-17-(2-hydroxy-5-oxo-2H-furan-4-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-12-yl] acetate Traditional Name: acetic acid [(5R,7R,8R,9R,10R,12S,13S,17R)-7-hydroxy-17-(2-hydroxy-5-keto-2H-furan-4-yl)-3-keto-4,4,8,10,13-pentamethyl-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-12-yl] ester Formula: C28H36O7 MolecularWeight: 484.58124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2C3(C=CC(=O)C(C3CC(C2(C4=CCC(C14C)C5=CC(OC5=O)O)C)O)(C)C)C

Isomeric SMILES

CC(=O)O[C@H]1C[C@@H]2[C@]3(C=CC(=O)C([C@@H]3C[C@H]([C@]2(C4=CC[C@H]([C@]14C)C5=CC(OC5=O)O)C)O)(C)C)C

InChI

InChI=1S/C28H36O7/c1-14(29)34-22-13-19-26(4)10-9-20(30)25(2,3)18(26)12-21(31)28(19,6)17-8-7-16(27(17,22)5)15-11-23(32)35-24(15)33/h8-11,16,18-19,21-23,31-32H,7,12-13H2,1-6H3/t16-,18-,19+,21+,22-,23?,26-,27-,28-/m0/s1