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Chemical structure of Ethynyl Estradiol-d4

GC26666

Ethynyl Estradiol-d4

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

Ethynyl Estradiol-d4 is the deuterium labeled Ethynyl Estradiol

ChemicalCAS350820-06-3MW300.43FormulaC20H20D4O2
CAS number
350820-06-3
Molecular weight
300.43
Formula
C20H20D4O2
Solubility
DMSO ： 250 mg/mL (832·14 mM; Need ultrasonic); H2O ： ＜ 0·1 mg/mL (insoluble)
InChIKey
BFPYWIDHMRZLRN-LJEVPYBISA-N
Catalogue number
GC26666
Brand
GLPBIO
Computed properties PubChem CID 45039155 · XLogP 3.7 · TPSA 40.5 Ų · H-bond donors 2
XLogP
3.7
TPSA
40.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
22

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

Computed descriptors from PubChem (CID 45039155), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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