Pregn-5-en-20-one, 3alpha-hydroxy-
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Basic information
- CAS
19037-28-6- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
ORNBQBCIOKFOEO-QYYVTAPASA-N- Molecular formula
- C21H32O2
- Average molar mass
- 316.5 g/mol
- Monoisotopic mass
- 316.24023026
Names & identifiers
- Preferred name
- Pregn-5-en-20-one, 3alpha-hydroxy-
- IUPAC
- 1-[(3R,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
- English name
- 5-Pregnene-3alpha-ol-20-one
- Molecular formula
- C21H32O2
- Molecular weight
- 316.47758
Names & synonyms
19037-28-63alpha-Hydroxypregn-5-en-20-onePregn-5-en-20-one, 3alpha-hydroxy-RefChem:3737913-epi-Pregnenolone1-[(3R,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanonePregn-5-en-20-one, 3-hydroxy-, (3a)-CHEMBL383839SCHEMBL6051876DTXSID108592833alpha-hydroxy-pregn-5-en-20-one(3alpha)-3-hydroxypregn-5-en-20-one
Show more names
5-PREGNEN-3α-OL-20-ONEPregn-5-en-3α-ol-20-one5-Pregnene-3alpha-ol-20-one3α-Hydroxy-20-oxopregn-5-ene(3α)-hydroxy-Pregn-5-en-20-one(3α)-3-Hydroxypregn-5-en-20-onePregn-5-en-20-one, 3-hydroxy-, (3α)-1-((3R,8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethan-1-one (Progesterone impurity)
FP168001I822121-((3R,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethan-1-one
Database identifiers
- CAS
19037-28-6- PubChem CID
- 146469
- DTXSID
DTXSID10859283- ChEMBL
CHEMBL383839- Nikkaji
- J534.626F
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 550
Physicochemical properties
- Melting point
- 117 · 117 - 120°C
- Boiling point
- 443.3 · 443.3±45.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 15 · 15.00±0.70(Predicted)
- color
- White to Off-White
Chemistry & industry
Applications
UsesAn epimer of Pregnenolone (P712200), a GABAA antagonist and increases neurogenesis in the hippocampus.
Related reactions
0 records
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Compound notes
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