Estrone-2,4,16,16-d4

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Catalog Number

ACM53866345

Product Name

Structure

CAS

53866-34-5

Category

Heterocyclic Organic Compound

Synonyms

1,3,5(10)-Estratrien-3-ol-17-one-d4; 3-Hydroxy-17-keto-estra-1,3,5-triene-d4

IUPAC Name

(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one

Molecular Weight

274.39

Molecular Formula

C₁₈H₁₈D₄O₂

InChI

InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3D,7D2,10D

InChI Key

DNXHEGUUPJUMQT-QSPUTOQOSA-N

Melting Point

258-260 °C (lit.)

Appearance

White solid

Isomeric SMILES

[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C)C(=C1O)[2H]

Stability

Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.

Storage Conditions

Store at room temperature

MSDS

COA

Spec Sheet

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