(5'R,8'S,10'R,13'R,14'S,17'S)-5,5,13'-trimethyl-5',17'-bis(oxidanyl)spiro[1,3-dioxane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-10'-carbonitrile

Systemtic Name: (5'R,8'S,10'R,13'R,14'S,17'S)-5,5,13'-trimethyl-5',17'-bis(oxidanyl)spiro[1,3-dioxane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-10'-carbonitrile Openeye Name: (5'R,8'S,10'R,13'R,14'S,17'S)-5',17'-dihydroxy-5,5,13'-trimethyl-spiro[1,3-dioxane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-10'-carbonitrile CAS Name: (5'R,8'S,10'R,13'R,14'S,17'S)-5',17'-dihydroxy-5,5,13'-trimethyl-10'-spiro[1,3-dioxane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]carbonitrile IUPAC Name: (5'R,8'S,10'R,13'R,14'S,17'S)-5',17'-dihydroxy-5,5,13'-trimethylspiro[1,3-dioxane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-10'-carbonitrile Traditional Name: (5'R,8'S,10'R,13'R,14'S,17'S)-5',17'-dihydroxy-5,5,13'-trimethyl-spiro[1,3-dioxane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-10'-carbonitrile Formula: C24H35NO4 MolecularWeight: 401.539

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2(CCC3(C4=CCC5(C(C4CCC3(C2)O)CCC5O)C)C#N)OC1)C

Isomeric SMILES

C[C@@]12CC=C3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@]4([C@@]3(CCC5(C4)OCC(CO5)(C)C)C#N)O

InChI

InChI=1S/C24H35NO4/c1-20(2)14-28-24(29-15-20)11-10-22(13-25)18-7-8-21(3)17(4-5-19(21)26)16(18)6-9-23(22,27)12-24/h7,16-17,19,26-27H,4-6,8-12,14-15H2,1-3H3/t16-,17-,19-,21+,22-,23+/m0/s1