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Chemical structure of Estradiol-d2-1

GC71613

Estradiol-d2-1

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

Estradiol-d2-1 is the deuterium labeled Estradiol

ChemicalCAS3188-46-3MW274.39FormulaC18H22D2O2
CAS number
3188-46-3
Molecular weight
274.39
Formula
C18H22D2O2
InChIKey
VOXZDWNPVJITMN-IRXRDFFPSA-N
Catalogue number
GC71613
Brand
GLPBIO
Computed properties PubChem CID 92043395 · 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(C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2([C@H]1O)C)C=CC(=C4)O)[2H]

Computed descriptors from PubChem (CID 92043395), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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