(11S,17R)-17-ethynyl-13-methyl-11-(3-propan-2-yloxypropyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: (11S,17R)-17-ethynyl-13-methyl-11-(3-propan-2-yloxypropyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Openeye Name: (11S,17R)-17-ethynyl-11-(3-isopropoxypropyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol CAS Name: (11S,17R)-17-ethynyl-13-methyl-11-(3-propan-2-yloxypropyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol IUPAC Name: (11S,17R)-17-ethynyl-13-methyl-11-(3-propan-2-yloxypropyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Traditional Name: (11S,17R)-17-ethynyl-11-(3-isopropoxypropyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Formula: C26H36O3 MolecularWeight: 396.56224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCC1CC2(C(CCC2(C#C)O)C3C1C4=C(CC3)C=C(C=C4)O)C

Isomeric SMILES

CC(C)OCCC[C@H]1CC2(C(CC[C@]2(C#C)O)C3C1C4=C(CC3)C=C(C=C4)O)C

InChI

InChI=1S/C26H36O3/c1-5-26(28)13-12-23-22-10-8-18-15-20(27)9-11-21(18)24(22)19(16-25(23,26)4)7-6-14-29-17(2)3/h1,9,11,15,17,19,22-24,27-28H,6-8,10,12-14,16H2,2-4H3/t19-,22?,23?,24?,25?,26-/m0/s1