4-Methoxyestriol

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

Also Known As: 4-methoxyestriol|(6aR,9R,10aR)-1,3-dibromo-9-(hydroxymethyl)-5a-methoxy-7-methyl-5a,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-5(4H)-one|(6aR,9R,10aR)-1,3-dichloro-5a-ethoxy-9-(hydroxymethyl)-7-methyl-5a,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-5(4H)-one|(6aR,9R,10aR)-1,3-dichloro-9-(hydroxymethyl)-5a-methoxy-7-methyl-5a,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-5(4H)-one|(6aR,9R,10aR)-1-chloro-5a-ethoxy-9-(hydroxymethyl)-7-methyl-5a,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-5(4H)-one|(6aR,9R,10aR)-1-chloro-9-(hydroxymethyl)-5a-methoxy-7-methyl-5a,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-5(4H)-one|4-(4-(2,4,10-trioxaadamantan-3-yl)butyl)-1,3-dibenzyl-4-hydroxytetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one|Benzeneacetic acid, a-[(3,5-dinitrobenzoyl)amino]-, (R)-, compd. with2-methyl-2-propanamine (1:1)OTHER CA INDEX NAMES:2-Propanamine, 2-methyl-,(R)-a-[(3,5-dinitrobenzoyl)amino]benzeneacetate|L-Valine, N-[2-(4-chlorophenyl)-3-methyl-1-oxobutyl]-, (S)-, compd. with1-dodecanamine (1:1)OTHER CA INDEX NAMES:1-Dodecanamine, compd. with(S)-N-[2-(4-chlorophenyl)-3-methyl-1-oxobutyl]-L-valine (1:1)

Molecular Formula	C19H26O4
Molecular Weight	318.1831 g/mol
LogP	2.5886
Topological Polar Surface Area	69.92 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	318.1831
Monoisotopic Mass	318.1831
Heavy Atoms	23
Complexity	628.0408

Chemical Identifiers

CAS Number	101534-41-2
SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4OC)O