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

Catalog Number ACM81586983
CAS 81586-98-3
Structure Structure
Synonyms 3,4-Dihydroxy-1,3,5(10)-estratrien-17-one-d4
IUPAC Name (8R,9S,13S,14S)-1,2,16,16-tetradeuterio-3,4-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/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1/i4D,6D,7D2
InChI Key XQZVQQZZOVBNLU-RFZGAVBWSA-N
Hazards Non-hazardous for transport.
Isomeric SMILES [2H]C1=C(C(=C(C2=C1[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC(C4=O)([2H])[2H])C)O)O)[2H]
Isotopic Enrichment 99 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 3131-23-5
Unlabeled Synonyms 1,3,5(10)-Estratrien-3,4-diol-17-one
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