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Chemical structure of 11-deoxy-16,16-dimethyl Prostaglandin E2

GC40390

11-deoxy-16,16-dimethyl Prostaglandin E2

Also known as 7-[(1S,2S)-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid

11-deoxy-16,16-dimethyl PGE2 is a stable synthetic analog of PGE2

ChemicalCAS53658-98-3MW364.5FormulaC22H36O4
CAS number
53658-98-3
Molecular weight
364.5
Formula
C22H36O4
Solubility
DMF： >100 mg/ml (from PGE2),DMSO： >100 mg/ml (from PGE2),Ethanol： >100 mg/ml (from PGE2),PBS pH 7·2： >5 mg/ml (from PGE2)
InChIKey
LLVVDFDWPQHXBA-CMKODMSKSA-N
Catalogue number
GC40390
Brand
GLPBIO
Computed properties PubChem CID 121232841 · XLogP 4.2 · TPSA 74.6 Ų · H-bond donors 2
XLogP
4.2
TPSA
74.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
26

SMILES CCCCC(C)(C)[C@@H](C=C[C@@H]1CCC(=O)[C@H]1CC=CCCCC(=O)O)O

Computed descriptors from PubChem (CID 121232841), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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