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Chemical structure of 10β,17β-dihydroxyestra-1,4-dien-3-one

GC38542

10β,17β-dihydroxyestra-1,4-dien-3-one

Also known as (8S,9S,10S,13S,14S,17S)-10,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

10β,17β-dihydroxyestra-1,4-dien-3-one (DHED) is a brain-targeting bioprecursor prodrug of the main human estrogen, 17β-estradiol, alleviates hot flushes in rat models of thermoregulatory dysfunction of the brain

ChemicalCAS549-02-0MW288.38FormulaC18H24O3
CAS number
549-02-0
Molecular weight
288.38
Formula
C18H24O3
Solubility
DMSO： 250 mg/mL (866·91 mM)
InChIKey
UIKDFTLKOKNUJP-UGDFAFBOSA-N
Catalogue number
GC38542
Brand
GLPBIO
Computed properties PubChem CID 11851170 · XLogP 1.7 · TPSA 57.5 Ų · H-bond donors 2
XLogP
1.7
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
21

SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)C=C[C@]34O

Computed descriptors from PubChem (CID 11851170), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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