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Chemical structure of Cortisol sulfate

GC62906

Cortisol sulfate

Also known as [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate

Cortisol sulfate (Cortisol 21-sulfate) is a metabolite of Cortisol

ChemicalCAS1253-43-6MW442.52FormulaC21H30O8S
CAS number
1253-43-6
Molecular weight
442.52
Formula
C21H30O8S
InChIKey
JOVLCJDINAUYJW-VWUMJDOOSA-N
Catalogue number
GC62906
Brand
GLPBIO
Computed properties PubChem CID 102172 · XLogP 0.7 · TPSA 147 Ų · H-bond donors 3
XLogP
0.7
TPSA
147 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
30

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)COS(=O)(=O)O)O)C)O

Computed descriptors from PubChem (CID 102172), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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