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beta-Estradiol 17-acetate

Properties

Image

Occurences in reactions

MNX_ID

MNXM44091

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₀H₂₆O₃

charge

mass

314.18819

reference

chebi:79735

InChIKey

QAHOQNJVHDHYRN-SLHNCBLASA-N

InChI

InChI=1S/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1

SMILES

CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:79735 chebi:79735 kegg.compound:C15228 keggC:C15228	beta-Estradiol 17-acetate 17beta-Acetylestradiol Estra-1,3,5(10)-triene-3,17beta-diol 17-acetate
seed.compound:cpd10921 seedM:cpd10921	17beta-Acetylestradiol Estra-1,3,5(10)-triene-3,17beta-diol 17-acetate beta-Estradiol 17-acetate
CHEBI:91592 chebi:91592	acetic acid (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester
keggC:M_C15228 seedM:M_cpd10921	secondary/obsolete/fantasy identifier