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Hydroxyprogesterone Impurity 14

CAT: 1299-RM-P157014-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P157014-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15399-87-8
Synonyms
(8R,9S,10R,13S,14S,17R) -17-acetyl-17-hydroxy-10,13-dimethyl-6-methylene-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
Molecular Formula
C22H30O3
Molecular Weight
342.48
Target Alternative Name
Hydroxyprogesterone
Product Name Synonym
(8R,9S,10R,13S,14S,17R) -17-acetyl-17-hydroxy-10,13-dimethyl-6-methylene-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

Chemical Information

Hydroxyprogesterone Impurity 14
CAS Number15399-87-8
PubChem CID11067843
IUPAC Name(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6-methylidene-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC22H30O3
Molecular Weight342.5
XLogP3
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity704
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=C)C4=CC(=O)CC[C@]34C)C)O
InChI
InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12,16-18,25H,1,5-11H2,2-4H3/t16-,17+,18+,20-,21+,22+/m1/s1
InChIKey
JKPFAFOFFYRBDB-NWUMPJBXSA-N
Chemical Structure
2D Structure
2D structure of Hydroxyprogesterone Impurity 14
CAS: 15399-87-8
CID: 11067843
Formula: C22H30O3
MW: 342.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass342.21949481
Monoisotopic Mass342.21949481
Topological Polar Surface Area54.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity704
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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