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21-Acetoxypregnenolone

CAT: 0572-TRC-A405065-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A405065-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
566-78-9
Synonyms
21-Acetoxypregnenolone; Pregn-5-en-20-one, 3β,21-dihydroxy-, 21-acetate (6CI,7CI,8CI); (3β)-21-(Acetyloxy)-3-hydroxypregn-5-en-20-one; 21-Acetoxy-3β-hydroxypregn-5-en-20-one; 21-Acetoxy-5-pregnen-3-ol-20-one; 21-Acetoxypregnenolone; 3-Hydroxy-21-acetoxy-5-pregnen-20-one; 3β-Hydr
Hazard Statement
Suspected of damaging fertility or the unborn child
Purity
>95% (HPLC)
Smiles
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Molecular Formula
C23 H34 O4
Molecular Weight
374.514
InChI
InChI=1S/C23H34O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h4,16-20,25H,5-13H2,1-3H3/t16-,17-,18-,19-,20+,22-,23-/m0/s1
Additionnal Information
IUPAC name: [2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

21-Acetoxypregnenolone

Artisone acetate is a corticosteroid hormone.

CAS Number566-78-9
PubChem CID248856
IUPAC Name[2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular FormulaC23H34O4
Molecular Weight374.5
XLogP4.1
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity667
SMILES
CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C23H34O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h4,16-20,25H,5-13H2,1-3H3/t16-,17-,18-,19-,20+,22-,23-/m0/s1
InChIKey
MDJRZSNPHZEMJH-MTMZYOSNSA-N
Chemical Structure
2D Structure
2D structure of 21-Acetoxypregnenolone
CAS: 566-78-9
CID: 248856
Formula: C23H34O4
MW: 374.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass374.24570956
Monoisotopic Mass374.24570956
Topological Polar Surface Area63.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity667
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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Alternative Products

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A0542021-Acetoxypregnenolone
M18362-0116,17-Epoxy-21-acetoxypregnenolone
MBS57827916, 17-Epoxy-21-acetoxypregnenolone
228232Interleukin-21 (IL-21)
I8442-01BInterleukin 21 (IL-21)
MBS630074-01Interleukin 21, IN (IL-21 IN)
TMID-0138-01Sodium Pregnenolone-17α,21,21,21-d4 Sulfate
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I8442-01B-APCInterleukin 21 (IL-21) (APC)
I8442-06-01Interleukin 21, CT (IL-21)

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