(7R,8R,9S,13S,14S,17S)-7-(4-azanylbutyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: (7R,8R,9S,13S,14S,17S)-7-(4-azanylbutyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Openeye Name: (7R,8R,9S,13S,14S,17S)-7-(4-aminobutyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol CAS Name: (7R,8R,9S,13S,14S,17S)-7-(4-aminobutyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol IUPAC Name: (7R,8R,9S,13S,14S,17S)-7-(4-aminobutyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Traditional Name: (7R,8R,9S,13S,14S,17S)-7-(4-aminobutyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Formula: C22H33NO2 MolecularWeight: 343.50292

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCN

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCN

InChI

InChI=1S/C22H33NO2/c1-22-10-9-18-17-6-5-16(24)13-15(17)12-14(4-2-3-11-23)21(18)19(22)7-8-20(22)25/h5-6,13-14,18-21,24-25H,2-4,7-12,23H2,1H3/t14-,18-,19+,20+,21-,22+/m1/s1