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Hydroxyprogesterone Impurity 24

CAT: 1299-RM-P157024-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P157024-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6890-65-9
Synonyms
1- ((3R,5S,8R,9S,10S,13S,14S,17R) -3,17-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl) ethan-1-one
Molecular Formula
C21H34O3
Molecular Weight
334.5
Target Alternative Name
Hydroxyprogesterone
Product Name Synonym
1- ((3R,5S,8R,9S,10S,13S,14S,17R) -3,17-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl) ethan-1-one

Chemical Information

(3alpha,5alpha)-3,17-Dihydroxypregnan-20-one

3alpha,17alpha-dihydroxy-5alpha-pregnan-20-one is a 17alpha-hydroxy-C21-steroid, a 3alpha-hydroxy steroid and a 20-oxo steroid. It has a role as a mouse metabolite, a human urinary metabolite and a rat metabolite.

CAS Number6890-65-9
PubChem CID111243
IUPAC Name1-[(3R,5S,8R,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Molecular FormulaC21H34O3
Molecular Weight334.5
XLogP3.7
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity545
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)O
InChI
InChI=1S/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15+,16+,17-,18-,19-,20-,21-/m0/s1
InChIKey
LKQDFQLSEHWIRK-JRRMKBMNSA-N
Chemical Structure
2D Structure
2D structure of (3alpha,5alpha)-3,17-Dihydroxypregnan-20-one
CAS: 6890-65-9
CID: 111243
Formula: C21H34O3
MW: 334.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass334.25079494
Monoisotopic Mass334.25079494
Topological Polar Surface Area57.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity545
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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