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20β-Dihydroprogesterone

CAT: 0024-sc-498875ASize: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-498875ASize:100 mg
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CAS Number
145-15-3

Chemical Information

20beta-Hydroxyprogesterone

(20R)-20-hydroxypregn-4-en-3-one is a 20-hydroxypregn-4-en-3-one.

CAS Number145-15-3
PubChem CID92747
IUPAC Name(8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H32O2
Molecular Weight316.5
XLogP4.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity550
SMILES
C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
InChI
InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey
RWBRUCCWZPSBFC-SJOKZOANSA-N
Chemical Structure
2D Structure
2D structure of 20beta-Hydroxyprogesterone
CAS: 145-15-3
CID: 92747
Formula: C21H32O2
MW: 316.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass316.240230259
Monoisotopic Mass316.240230259
Topological Polar Surface Area37.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity550
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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