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Hydrocortisone acetate (Standard)

CAT: 0804-HY-B1183R-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1183R-01Size:25 mg
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Description
Hydrocortisone acetate (Standard) is the analytical standard of Hydrocortisone acetate. This product is intended for research and analytical applications.
CAS Number
50-03-3
Product Name Alternative
Hydrocortisone 21-acetate (Standard) ; Cortisol 21-acetate (Standard)
UNSPSC
12352211
Hazard Statement
H360-H373
Target
Endogenous Metabolite; Glucocorticoid Receptor; Reference Standards
Type
Reference Standards
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; Others; Vitamin D Related/Nuclear Receptor
Field of Research
Inflammation/Immunology; Endocrinology
Assay Protocol
https://www.medchemexpress.com/hydrocortisone-acetate-standard.html
Purity
90.000000
Solubility
DMSO : ≥ 38 mg/mL
Smiles
C[C@@]12[C@](C(COC(C)=O)=O)(O)CC[C@@]1([H])[C@]3([H])CCC4=CC(CC[C@]4(C)[C@@]3([H])[C@@H](O)C2)=O
Molecular Formula
C23H32O6
Molecular Weight
404.50
Precautions
P260-P280-P280-P405-P405-P501-P501
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference Standards
Clinical Information
Launched
Isoform
Human Endogenous Metabolite

Chemical Information

Hydrocortisone Acetate

Cortisol 21-acetate is a tertiary alpha-hydroxy ketone and a cortisol ester.

CAS Number50-03-3
PubChem CID5744
IUPAC Name[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] acetate
Molecular FormulaC23H32O6
Molecular Weight404.5
XLogP2.2
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity786
SMILES
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O
InChI
InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
InChIKey
ALEXXDVDDISNDU-JZYPGELDSA-N
Chemical Structure
2D Structure
2D structure of Hydrocortisone Acetate
CAS: 50-03-3
CID: 5744
Formula: C23H32O6
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass404.21988874
Monoisotopic Mass404.21988874
Topological Polar Surface Area101 Ų
Heavy Atom Count29
Formal Charge0
Complexity786
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes