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Chemical structure of 17β-Estradiol-d2

GC46470

17β-Estradiol-d2

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

17β-Estradiol-d2 (β-17β-Estradiol-d2) is the deuterium labeled Estradiol

ChemicalCAS53866-33-4MW274.4FormulaC18H22D2O2
CAS number
53866-33-4
Molecular weight
274.4
Formula
C18H22D2O2
Solubility
DMF: 20 mg/ml,DMSO: 20 mg/ml,DMSO:PBS(pH 7·2) (1:4): 0·2 mg/ml,Ethanol: 2 mg/ml
InChIKey
VOXZDWNPVJITMN-CKJOQQCQSA-N
Catalogue number
GC46470
Brand
GLPBIO
Computed properties PubChem CID 40913 · 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(CCC3C2CCC4(C3CC[C@@H]4O)C)C(=C1O)[2H]

Computed descriptors from PubChem (CID 40913), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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