(13S,16S,17S)-16-(3-azanylprop-1-ynyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: (13S,16S,17S)-16-(3-azanylprop-1-ynyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Openeye Name: (13S,16S,17S)-16-(3-aminoprop-1-ynyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol CAS Name: (13S,16S,17S)-16-(3-aminoprop-1-ynyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol IUPAC Name: (13S,16S,17S)-16-(3-aminoprop-1-ynyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Traditional Name: (13S,16S,17S)-16-(3-aminoprop-1-ynyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(C2O)C#CCN)CCC4=C3C=CC(=C4)O

Isomeric SMILES

C[C@]12CCC3C(C1C[C@H]([C@@H]2O)C#CCN)CCC4=C3C=CC(=C4)O

InChI

InChI=1S/C21H27NO2/c1-21-9-8-17-16-7-5-15(23)11-13(16)4-6-18(17)19(21)12-14(20(21)24)3-2-10-22/h5,7,11,14,17-20,23-24H,4,6,8-10,12,22H2,1H3/t14-,17?,18?,19?,20+,21+/m1/s1