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17a-Hydroxy progesterone

CAT: 0926-FH24103-03Size: 0.25 kgDry Ice: NoHazardous: No
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CAT#:0926-FH24103-03Size:0.25 kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
68-96-2
Synonyms
17-Hydroxy-pregn-4-ene-3,20-dione;4-Pregnen-17a-ol-3,20-dione
MDL Number
MFCD00003659
Smiles
CC (=O) [C@]1 (CC[C@@H]2[C@@]1 (CC[C@H]3[C@H]2CCC4=CC (=O) CC[C@]34C) C) O
Molecular Formula
C21H30O3
Molecular Weight
330.46 g/mol
Controlled
No

Chemical Information

17-Hydroxyprogesterone

17alpha-hydroxyprogesterone is a 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone. It has a role as a metabolite, a progestin, a mouse metabolite and a human metabolite. It is a 17alpha-hydroxy-C21-steroid, a tertiary alpha-hydroxy ketone and a 17alpha-hydroxy steroid. It is functionally related to a progesterone.

CAS Number68-96-2
PubChem CID6238
IUPAC Name(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H30O3
Molecular Weight330.5
XLogP3.2
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity635
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
InChI
InChI=1S/C21H30O3/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/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
InChIKey
DBPWSSGDRRHUNT-CEGNMAFCSA-N
Chemical Structure
2D Structure
2D structure of 17-Hydroxyprogesterone
CAS: 68-96-2
CID: 6238
Formula: C21H30O3
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP33.2
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
Complexity635
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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