4-[[(10R,13S,17R)-17-ethynyl-10,13-dimethyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(10R,13S,17R)-17-ethynyl-10,13-dimethyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(10R,13S,17R)-17-ethynyl-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxo-butanoic acid CAS Name: 4-[[(10R,13S,17R)-17-ethynyl-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[[(10R,13S,17R)-17-ethynyl-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid Traditional Name: 4-[[(10R,13S,17R)-17-ethynyl-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-keto-butyric acid Formula: C25H30O5 MolecularWeight: 410.5027

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C#C)OC(=O)CCC(=O)O)CCC4=CC(=O)C=CC34C

Isomeric SMILES

C[C@]12CCC3C(C1CC[C@]2(C#C)OC(=O)CCC(=O)O)CCC4=CC(=O)C=C[C@]34C

InChI

InChI=1S/C25H30O5/c1-4-25(30-22(29)8-7-21(27)28)14-11-20-18-6-5-16-15-17(26)9-12-23(16,2)19(18)10-13-24(20,25)3/h1,9,12,15,18-20H,5-8,10-11,13-14H2,2-3H3,(H,27,28)/t18?,19?,20?,23-,24-,25-/m0/s1