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2-Hydroxyestrone-1,4,16,16-d4

Catalog Number ACM81586972
CAS 81586-97-2
Structure Structure
Synonyms [2H4]-2-Hydroxy estrone
IUPAC Name (8R,9S,13S,14S)-1,4,16,16-tetradeuterio-2,3-dihydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Molecular Weight 290.39
Molecular Formula C18H18D4O3
InChI InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1/i5D2,8D,9D
InChI Key SWINWPBPEKHUOD-PJZZMCTGSA-N
Hazards Non-hazardous for transport.
Isomeric SMILES [2H]C1=C2CC[C@@H]3[C@@H](C2=C(C(=C1O)O)[2H])CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C
Isotopic Enrichment 98 atom % D
Stability Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.
Storage Conditions Store refrigerated
Unlabeled CAS 362-06-1
Unlabeled Synonyms 1,3,5(10)-Estratrien-2,3-diol-17-one
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