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Chemical structure of Estrone

GC14385

Estrone

Also known as 3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Estrone is one of the three major endogenous estrogens, the others being estradiol and estriol

ChemicalCAS53-16-7MW270.37FormulaC18H22O2
CAS number
53-16-7
Molecular weight
270.37
Formula
C18H22O2
Solubility
≥ 9·75 mg/mL in DMSO, ≥ 9·2 mg/mL in EtOH with ultrasonic and warming
InChIKey
DNXHEGUUPJUMQT-UHFFFAOYSA-N
Catalogue number
GC14385
Brand
GLPBIO
Computed properties PubChem CID 698 · XLogP 3.1 · TPSA 37.3 Ų · H-bond donors 1
XLogP
3.1
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
20

SMILES CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O

Computed descriptors from PubChem (CID 698), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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