1-[(3R,5S,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-3-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-imidazol-1-yl-ethanone

Systemtic Name: 1-[(3R,5S,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-3-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-imidazol-1-yl-ethanone Openeye Name: 1-[(3R,5S,10S,13S,17S)-3-hydroxy-3-(hydroxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-imidazol-1-yl-ethanone CAS Name: 1-[(3R,5S,10S,13S,17S)-3-hydroxy-3-(hydroxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(1-imidazolyl)ethanone IUPAC Name: 1-[(3R,5S,10S,13S,17S)-3-hydroxy-3-(hydroxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-imidazol-1-ylethanone Traditional Name: 1-[(3R,5S,10S,13S,17S)-3-hydroxy-10,13-dimethyl-3-methylol-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-imidazol-1-yl-ethanone Formula: C25H38N2O3 MolecularWeight: 414.58082

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CN5C=CN=C5)C)(CO)O

Isomeric SMILES

C[C@]12CC[C@@](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4C(=O)CN5C=CN=C5)C)(CO)O

InChI

InChI=1S/C25H38N2O3/c1-23-9-10-25(30,15-28)13-17(23)3-4-18-19-5-6-21(24(19,2)8-7-20(18)23)22(29)14-27-12-11-26-16-27/h11-12,16-21,28,30H,3-10,13-15H2,1-2H3/t17-,18?,19?,20?,21+,23-,24-,25+/m0/s1