(9R,10R,13R,17S)-17-ethyl-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,3,3-triol

Systemtic Name: (9R,10R,13R,17S)-17-ethyl-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,3,3-triol Openeye Name: (9R,10R,13R,17S)-17-ethyl-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,3,3-triol CAS Name: (9R,10R,13R,17S)-17-ethyl-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,3,3-triol IUPAC Name: (9R,10R,13R,17S)-17-ethyl-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,3,3-triol Traditional Name: (9R,10R,13R,17S)-17-ethyl-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,3,3-triol Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C3C=CC4=CC(C(CC4(C3CCC12C)C)O)(O)O

Isomeric SMILES

CC[C@H]1CCC2=C3C=CC4=CC(C(C[C@@]4([C@H]3CC[C@]12C)C)O)(O)O

InChI

InChI=1S/C21H30O3/c1-4-13-6-8-16-15-7-5-14-11-21(23,24)18(22)12-20(14,3)17(15)9-10-19(13,16)2/h5,7,11,13,17-18,22-24H,4,6,8-10,12H2,1-3H3/t13-,17-,18?,19+,20-/m0/s1