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Chemical structure of Dexamethasone 9,11-epoxide

GC31869

Dexamethasone 9,11-epoxide

Also known as (1S,2S,10S,11S,13R,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one

Dexamethasone 9,11-epoxide, a compound extracted from patent CN 106520896 A and RU 2532902 C1, is an intermediate in the preparation of dexamethasone

ChemicalCAS24916-90-3MW372.45FormulaC22H28O5
CAS number
24916-90-3
Molecular weight
372.45
Formula
C22H28O5
Solubility
DMSO ： ≥ 150 mg/mL (402·74 mM)
InChIKey
GBDXNHBVYAMODG-QDBZYVRYSA-N
Catalogue number
GC31869
Brand
GLPBIO
Computed properties PubChem CID 11143226 · XLogP 2 · TPSA 87.1 Ų · H-bond donors 2
XLogP
2
TPSA
87.1 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
27

SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)CO)O)C)C

Computed descriptors from PubChem (CID 11143226), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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