Structure

Estrone-2,4-d2

CAS
350820-16-5
Catalog Number
ACM350820165
Category
Other Products
Molecular Weight
272.38
Molecular Formula
C18H20D2O2

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Specification

Synonyms
Estrone-D2
IUPAC Name
(8R,9S,13S,14S)-2,4-dideuterio-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Canonical SMILES
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
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,10D
InChI Key
DNXHEGUUPJUMQT-HUQKQUBWSA-N
Exact Mass
272.17500
H-Bond Acceptor
2
H-Bond Donor
1
Isomeric SMILES
[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)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
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