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11Beta-hydroxyprogesterone

CAT: 0931-TCA2511-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TCA2511-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
600-57-7
Target
Dehydrogenase, Endogenous Metabolite
Related Pathways
Metabolism
Purity
0.9952
Bioactivity
11Beta-hydroxyprogesterone (11β-Hydroxyprogesterone) is an inhibitor of 11beta-hydroxysteroid dehydrogenase (11betaHSD) type 2, which activates the human hydrocorticosteroid receptor in COS-7 cells, and may be useful in the study of metabolism-related diseases.
Smiles
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Molecular Formula
C21H30O3
Molecular Weight
330.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

11beta-Hydroxyprogesterone

11beta-hydroxyprogesterone is a 11beta-hydroxy steroid that is progesterone substituted by a beta-hydroxy group at position 11. It has a role as a mouse metabolite and a human metabolite. It is functionally related to a progesterone.

CAS Number600-57-7
PubChem CID101788
IUPAC Name(8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H30O3
Molecular Weight330.5
XLogP2.4
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity621
SMILES
CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C
InChI
InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1
InChIKey
BFZHCUBIASXHPK-ATWVFEABSA-N
Chemical Structure
2D Structure
2D structure of 11beta-Hydroxyprogesterone
CAS: 600-57-7
CID: 101788
Formula: C21H30O3
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass330.21949481
Monoisotopic Mass330.21949481
Topological Polar Surface Area54.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity621
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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