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Hydroxyprogesterone Impurity 11

CAT: 1299-RM-P157011-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P157011-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
77881-13-1
Synonyms
(8R,9S,10R,13S,14S,17R) -17-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
Molecular Formula
C20H27NO2
Molecular Weight
313.44
Target Alternative Name
Hydroxyprogesterone
Product Name Synonym
(8R,9S,10R,13S,14S,17R) -17-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile

Chemical Information

(17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile
CAS Number77881-13-1
PubChem CID13035453
IUPAC Name(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
Molecular FormulaC20H27NO2
Molecular Weight313.4
XLogP3.2
Topological Polar Surface Area61.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity643
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C#N)O)C
InChI
InChI=1S/C20H27NO2/c1-18-8-5-14(22)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19,23)12-21/h11,15-17,23H,3-10H2,1-2H3/t15-,16+,17+,18+,19+,20+/m1/s1
InChIKey
JYCSLUASXDFIEL-HLXURNFRSA-N
Chemical Structure
2D Structure
2D structure of (17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile
CAS: 77881-13-1
CID: 13035453
Formula: C20H27NO2
MW: 313.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass313.204179104
Monoisotopic Mass313.204179104
Topological Polar Surface Area61.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity643
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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