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Chemical structure of 2-Methoxyestrone-d4

GC70361

2-Methoxyestrone-d4

Also known as (8R,9S,13S,14S)-1,4,6-trideuterio-3-deuteriooxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

2-Methoxyestrone-d4 is the deuterium labeled 2-Methoxyestrone

ChemicalCAS949885-90-9MW304.42FormulaC19H20D4O3
CAS number
949885-90-9
Molecular weight
304.42
Formula
C19H20D4O3
Solubility
DMSO : 50 mg/mL (164·25 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
WHEUWNKSCXYKBU-NZTFOOEBSA-N
Catalogue number
GC70361
Brand
GLPBIO
Computed properties PubChem CID 131701205 · XLogP 3.1 · TPSA 46.5 Ų · H-bond donors 1
XLogP
3.1
TPSA
46.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22

SMILES [2H]C1C[C@@H]2[C@H](CC[C@]3([C@H]2CCC3=O)C)C4=C(C(=C(C(=C14)[2H])O[2H])OC)[2H]

Computed descriptors from PubChem (CID 131701205), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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