[(5R,10S,13R,14S,16S)-10,13-dimethyl-14-oxidanyl-3-oxidanylidene-17-(5-oxidanylidene-2H-furan-3-yl)-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] ethanoate

Systemtic Name: [(5R,10S,13R,14S,16S)-10,13-dimethyl-14-oxidanyl-3-oxidanylidene-17-(5-oxidanylidene-2H-furan-3-yl)-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] ethanoate Openeye Name: [(5R,10S,13R,14S,16S)-14-hydroxy-10,13-dimethyl-3-oxo-17-(5-oxo-2H-furan-3-yl)-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate CAS Name: acetic acid [(5R,10S,13R,14S,16S)-14-hydroxy-10,13-dimethyl-3-oxo-17-(5-oxo-2H-furan-3-yl)-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] ester IUPAC Name: [(5R,10S,13R,14S,16S)-14-hydroxy-10,13-dimethyl-3-oxo-17-(5-oxo-2H-furan-3-yl)-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate Traditional Name: acetic acid [(5R,10S,13R,14S,16S)-14-hydroxy-3-keto-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] ester Formula: C25H34O6 MolecularWeight: 430.53386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2(C3CCC4CC(=O)CCC4(C3CCC2(C1C5=CC(=O)OC5)C)C)O

Isomeric SMILES

CC(=O)O[C@H]1C[C@@]2(C3CC[C@@H]4CC(=O)CC[C@@]4(C3CC[C@@]2(C1C5=CC(=O)OC5)C)C)O

InChI

InChI=1S/C25H34O6/c1-14(26)31-20-12-25(29)19-5-4-16-11-17(27)6-8-23(16,2)18(19)7-9-24(25,3)22(20)15-10-21(28)30-13-15/h10,16,18-20,22,29H,4-9,11-13H2,1-3H3/t16-,18?,19?,20+,22?,23+,24-,25+/m1/s1