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Chemical structure of 4-Hydroxyestrone-d4

GC76738

4-Hydroxyestrone-d4

Also known as (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

4-Hydroxyestrone-d4 is the deuterium labeled 4-Hydroxyestrone

ChemicalCAS81586-98-3MW290.39FormulaC18H18D4O3
CAS number
81586-98-3
Molecular weight
290.39
Formula
C18H18D4O3
Solubility
Methanol： 10 mg/mL (34·44 mM; Need ultrasonic and warming)
InChIKey
XQZVQQZZOVBNLU-RFZGAVBWSA-N
Catalogue number
GC76738
Brand
GLPBIO
Computed properties PubChem CID 71749017 · XLogP 2.8 · TPSA 57.5 Ų · H-bond donors 2
XLogP
2.8
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
21

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]

Computed descriptors from PubChem (CID 71749017), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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