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Hydrocortisone 21-acetate

CAT: 0024-sc-205715Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-205715Size:1 g
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CAS Number
50-03-3

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...
View on PubChemRaw 3D data
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

Related Products

CatalogName
sc-4830976α-Methyl hydrocortisone-d4 21-acetate
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sc-489985Hydrocortisone 17-Acetate
sc-228319DHydrocortisone 21-hemisuccinate
sc-228319BHydrocortisone 21-hemisuccinate
sc-228319EHydrocortisone 21-hemisuccinate
sc-228319Hydrocortisone 21-hemisuccinate
sc-228319AHydrocortisone 21-hemisuccinate
sc-489988Hydrocortisone 21-Valerate
sc-49721820,21-Dinor Hydrocortisone

Alternative Products

CatalogName
TRC-H714620-1GHydrocortisone 21-Acetate
HY-W752483Hydrocortisone 21-Acetate-d3
MBS6049920-01Epi Hydrocortisone 21-Acetate
TRC-B684474-25MG9-Bromo Hydrocortisone 21-Acetate
TRC-M312520-250MG6a-Methyl Hydrocortisone 21-Acetate
MBS6076990-01Hydrocortisone 17-Propionate 21-Acetate
0169186α-Methyl Hydrocortisone 21-Acetate
TRC-H716573-100MGHydrocortisone 17-Valerate 21-Acetate

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