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Chlormadinone Acetate Impurity 1

CAT: 1299-RM-C082801-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C082801-01Size:10 mg
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CAS Number
2477-73-8
Synonyms
(6S,8R,9S,10R,13S,14S,17R) -17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
Molecular Formula
C23H31ClO4
Molecular Weight
406.94
Target Alternative Name
Chlormadinone
Product Name Synonym
(6S,8R,9S,10R,13S,14S,17R) -17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate

Chemical Information

(6alpha)-17-(Acetyloxy)-6-chloropregn-4-ene-3,20-dione

6alpha-Chloro-17-acetoxyprogesterone is a corticosteroid hormone.

CAS Number2477-73-8
PubChem CID200665
IUPAC Name[(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC23H31ClO4
Molecular Weight406.9
XLogP3.7
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity773
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)Cl)C)OC(=O)C
InChI
InChI=1S/C23H31ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11,16-18,20H,5-10,12H2,1-4H3/t16-,17+,18+,20+,21-,22+,23+/m1/s1
InChIKey
DCVGANSDLNPXGO-WXLIAARGSA-N
Chemical Structure
2D Structure
2D structure of (6alpha)-17-(Acetyloxy)-6-chloropregn-4-ene-3,20-dione
CAS: 2477-73-8
CID: 200665
Formula: C23H31ClO4
MW: 406.9
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight406.9
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass406.1910872
Monoisotopic Mass406.1910872
Topological Polar Surface Area60.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity773
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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