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Structure

Estra-1,3,5,7,9-pentaen-17-one-4,16,16-d3,3-hydroxy-(9ci)

CAS
56588-54-6
Catalog Number
ACM56588546
Category
Other Products
Molecular Weight
269.35
Molecular Formula
C18H15D3O2

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Specification

Synonyms
EQUILENIN-4,16,16-D3
IUPAC Name
(13S,14S)-4,16,16-trideuterio-3-hydroxy-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-17-one
Canonical SMILES
CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)O
InChI Key
PDRGHUMCVRDZLQ-POWJHRNTSA-N
Exact Mass
269.15000
H-Bond Acceptor
2
H-Bond Donor
1
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