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11-Ketoprogesterone

CAT: 0572-TRC-K201000-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-K201000-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
516-15-4
Synonyms
11-Ketoprogesterone
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Molecular Formula
C21 H28 O3
Molecular Weight
328.45
InChI
InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-17,19H,4-9,11H2,1-3H3/t15-,16+,17-,19+,20-,21+/m0/s1
Additionnal Information
IUPAC name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Pregn-4-ene-3,11,20-trione

11-Ketoprogesterone is a corticosteroid hormone.

CAS Number516-15-4
PubChem CID94166
IUPAC Name(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Molecular FormulaC21H28O3
Molecular Weight328.4
XLogP2.4
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity660
SMILES
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI
InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-17,19H,4-9,11H2,1-3H3/t15-,16+,17-,19+,20-,21+/m0/s1
InChIKey
WKAVAGKRWFGIEA-DADBAOPHSA-N
Chemical Structure
2D Structure
2D structure of Pregn-4-ene-3,11,20-trione
CAS: 516-15-4
CID: 94166
Formula: C21H28O3
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass328.20384475
Monoisotopic Mass328.20384475
Topological Polar Surface Area51.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity660
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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