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Chemical structure of Estradiol-d4

GC63643

Estradiol-d4

Also known as (8R,9S,13S,14S,17S)-2,4,16,16-tetradeuterio-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Estradiol-d4 (β-Estradiol-d4) is the deuterium labeled Estradiol

ChemicalCAS66789-03-5MW276.41FormulaC18H20D4O2
CAS number
66789-03-5
Molecular weight
276.41
Formula
C18H20D4O2
Solubility
DMSO ： 125 mg/mL (452·23 mM; Need ultrasonic)
InChIKey
VOXZDWNPVJITMN-GKCQEISNSA-N
Catalogue number
GC63643
Brand
GLPBIO
Computed properties PubChem CID 87229045 · XLogP 4 · TPSA 40.5 Ų · H-bond donors 2
XLogP
4
TPSA
40.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
20

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

Computed descriptors from PubChem (CID 87229045), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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