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Chemical structure of Prednisolone farnesylate

GC36959

Prednisolone farnesylate

Also known as [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate

Prednisolone farnesylate (PNF21) is a new transdermal corticosteroid with anti-inflammatory activity

ChemicalCAS118244-44-3MW578.78FormulaC36H50O6
CAS number
118244-44-3
Molecular weight
578.78
Formula
C36H50O6
Solubility
Soluble in DMSO
InChIKey
SBQAKZYUNWNIRL-WIPKXTQKSA-N
Catalogue number
GC36959
Brand
GLPBIO
Computed properties PubChem CID 5282229 · XLogP 7.6 · TPSA 101 Ų · H-bond donors 2
XLogP
7.6
TPSA
101 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
42

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

Computed descriptors from PubChem (CID 5282229), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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