3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine; [(8R,9S,10R,13S,14S,17R)-6-chloranyl-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate; (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: 3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine; [(8R,9S,10R,13S,14S,17R)-6-chloranyl-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate; (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Openeye Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate; 3-(diaminomethylene)-1,1-dimethyl-guanidine; (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol CAS Name: acetic acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester; 3-(diaminomethylidene)-1,1-dimethylguanidine; (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate; 3-(diaminomethylidene)-1,1-dimethylguanidine; (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Traditional Name: acetic acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-3-keto-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester; 3-(diaminomethylene)-1,1-dimethyl-guanidine; (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Formula: C47H64ClN5O6 MolecularWeight: 830.49396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)OC(=O)C.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O.CN(C)C(=N)N=C(N)N

Isomeric SMILES

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)OC(=O)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O.CN(C)C(=N)N=C(N)N

InChI

InChI=1S/C23H29ClO4.C20H24O2.C4H11N5/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2;1-9(2)4(7)8-3(5)6/h11-12,16-18H,5-10H2,1-4H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3;1-2H3,(H5,5,6,7,8)/t16-,17+,18+,21-,22+,23+;16-,17-,18+,19+,20+;/m11./s1