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Hydrocortisone 17-Acetate

CAT: 0572-TRC-H714695-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H714695-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16463-74-4
Synonyms
Pregn-4-ene-3,20-dione, 17-(acetyloxy)-11,21-dihydroxy-, (11β)-; Cortisol, 17-acetate (7CI,8CI); (11β)-17-(Acetyloxy)-11,21-dihydroxypregn-4-ene-3,20-dione; Hydrocortisone 17-acetate
Hazard Statement
May damage fertility or the unborn child
Purity
>95% (HPLC)
Smiles
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
Molecular Formula
C23 H32 O6
Molecular Weight
404.5
InChI
InChI=1S/C23H32O6/c1-13(25)29-23(19(28)12-24)9-7-17-16-5-4-14-10-15(26)6-8-21(14,2)20(16)18(27)11-22(17,23)3/h10,16-18,20,24,27H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
Additionnal Information
IUPAC name: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Hydrocortisone-17-acetate
CAS Number16463-74-4
PubChem CID7566349
IUPAC Name[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC23H32O6
Molecular Weight404.5
XLogP2.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity786
SMILES
CC(=O)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)C(=O)CO
InChI
InChI=1S/C23H32O6/c1-13(25)29-23(19(28)12-24)9-7-17-16-5-4-14-10-15(26)6-8-21(14,2)20(16)18(27)11-22(17,23)3/h10,16-18,20,24,27H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
InChIKey
HDEDWNHZBWFQCB-JZYPGELDSA-N
Chemical Structure
2D Structure
2D structure of Hydrocortisone-17-acetate
CAS: 16463-74-4
CID: 7566349
Formula: C23H32O6
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP32.3
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

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