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Hydroxyprogesterone Impurity 25

CAT: 1299-RM-P157025-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P157025-04Size:100 mg
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CAS Number
570-59-2
Synonyms
(5S,8R,9S,10S,13S,14S,17R) -17-acetyl-17-hydroxy-10,13-dimethylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one
Molecular Formula
C21H32O3
Molecular Weight
332.48
Target Alternative Name
Hydroxyprogesterone
Product Name Synonym
(5S,8R,9S,10S,13S,14S,17R) -17-acetyl-17-hydroxy-10,13-dimethylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one

Chemical Information

(5alpha)-17-Hydroxypregnane-3,20-dione
CAS Number570-59-2
PubChem CID11889565
IUPAC Name(5S,8R,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H32O3
Molecular Weight332.5
XLogP3.2
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity584
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)O
InChI
InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14,16-18,24H,4-12H2,1-3H3/t14-,16+,17-,18-,19-,20-,21-/m0/s1
InChIKey
UUOHXXXJRQGPLC-JJFNZWTKSA-N
Chemical Structure
2D Structure
2D structure of (5alpha)-17-Hydroxypregnane-3,20-dione
CAS: 570-59-2
CID: 11889565
Formula: C21H32O3
MW: 332.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight332.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass332.23514488
Monoisotopic Mass332.23514488
Topological Polar Surface Area54.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity584
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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