(3beta,5alpha)-3-Hydroxypregnan-20-one | CAS No. 516-55-2

(3beta,5alpha)-3-Hydroxypregnan-20-one

Basic Information

CAS Number

516-55-2

Molecular Formula

C21H34O2

Molecular Weight

318.5 g/mol

AD

Basic Physical Properties

Melting Point

200 ºC

Solubility

Insuluble (1.8E-3 g/L) (25 ºC),

Specific Rotation

D27 +91.2° (c = 0.4 in ethanol)

CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

InChI

InChI=1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

AURFZBICLPNKBZ-FZCSVUEKSA-N

LogP

4.595200000000005

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

500

Synonyms & References

English

  • EINECS 208-224-2
  • SCHEMBL598848
  • Allopregnan-3b-ol-20-one
  • 3b-hydroxy-5a-pregnan-20-one
  • 3b-Allopregnanolone
  • 3-Hydroxypregnan-20-one, (3.beta.,5.alpha.)-
  • UNII-3P8Z6V53MU
  • 5.alpha.-Pregnane-3.beta.-ol-20-one
  • 3beta-tetrahydroprogesterone
  • Allopregnan-3beta-ol-20-one
  • NS00014713
  • AKOS027250789
  • Isopregnanolone
  • ?ALLOPREGNANOLONE
  • LMST02030173
  • HY-113307
  • CS-0059559
  • 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
  • 5.alpha.-Pregnan-20-one, 3.beta.-hydroxy-
  • Isoallopregnanolone
  • DB12972
  • Pregnan-20-one, 3-hydroxy-, (3beta,5alpha)-
  • 3.beta.-Hydroxy-5.alpha.-pregnan-20-one
  • 5a-Pregnan-3b-ol-20-one
  • Allopregnan-3.beta.-ol-20-one
  • DTXSID001023710
  • 3-beta-Allopregnanolone
  • 5a-Pregnane-3b-ol-20-one
  • Allopregnanolone
  • 3b-Hydroxy-5a-tetrahydroprogesterone
  • Allopregnane-3.beta.-ol-20-one

MDL Number

MFCD00064935

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...