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Chemical structure of 18-Oxocortisol

GC62759

18-Oxocortisol

Also known as (8S,9S,10R,11S,13R,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde

18-Oxocortisol is a derivative of cortisol that is produced by aldosterone synthase (CYP11B2)

ChemicalCAS2410-60-8MW376.44FormulaC21H28O6
CAS number
2410-60-8
Molecular weight
376.44
Formula
C21H28O6
InChIKey
XUQWWIFROYJHCU-UKSDXMLSSA-N
Catalogue number
GC62759
Brand
GLPBIO
Computed properties PubChem CID 123712 · XLogP 0.2 · TPSA 112 Ų · H-bond donors 3
XLogP
0.2
TPSA
112 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
27

SMILES C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C=O)O

Computed descriptors from PubChem (CID 123712), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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