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16α-Hydroxy progesterone

CAT: 0013-GTR19246664-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19246664-02Size:50 mg
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Description
16α-Hydroxy progesterone is a biochemical reagent.
CAS Number
438-07-3
Field of Research
Pharmacology & Drug Discovery
Smiles
C[C@@]12[C@] (C[C@H] ([C@@H]2C (C) =O) O) ([H]) [C@@]3 ([H]) [C@@] (CC1) ([H]) [C@@]4 (C (CC3) =CC (CC4) =O) C
Molecular Formula
C21H30O3
Molecular Weight
330.4611
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

16alpha-Hydroxyprogesterone

16alpha-hydroxyprogesterone is a 16alpha-hydroxy steroid. It is functionally related to a progesterone.

CAS Number438-07-3
PubChem CID243761
IUPAC Name(8S,9S,10R,13S,14S,16R,17R)-17-acetyl-16-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
XLogP3.3
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]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
InChI
InChI=1S/C21H30O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21+/m1/s1
InChIKey
LOVNYFVWYTXDRE-RMWFXKKMSA-N
Chemical Structure
2D Structure
2D structure of 16alpha-Hydroxyprogesterone
CAS: 438-07-3
CID: 243761
Formula: C21H30O3
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP33.3
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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