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Home > Encyclopedia > (3β)-3,17,21-Trihydroxypregn-5-en-20-one

(3β)-3,17,21-Trihydroxypregn-5-en-20-one

(3β)-3,17,21-Trihydroxypregn-5-en-20-one structure

(3β)-3,17,21-Trihydroxypregn-5-en-20-one 

structure
  • CAS No:

    1167-48-2

  • Formula:

    C21H32O4

  • Chemical Name:

    (3β)-3,17,21-Trihydroxypregn-5-en-20-one

  • Synonyms:

    Pregn-5-en-20-one,3,17,21-trihydroxy-,(3β)-;Pregn-5-en-20-one,3β,17,21-trihydroxy-;(3β)-3,17,21-Trihydroxypregn-5-en-20-one;3β,17α,21-Trihydroxypregn-5-en-20-one;17,21-Dihydroxypregnenolone;17α,21-Dihydroxypregnenolone

Description

Solid


Solid


17alpha,21-dihydroxypregnenolone is a 17alpha-hydroxy steroid, a 21-hydroxy steroid, a 3beta-hydroxy-Delta(5)-steroid, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It has a role as a mouse metabolite. It derives from a pregnenolone.

(3β)-3,17,21-Trihydroxypregn-5-en-20-one Basic Attributes

348.483

348.48

1644H18038

Characteristics

77.8

2.6

Solid

240-242 °C

2.98E-14mmHg at 25°C

Drug Information

17, 21-dihydroxypregnenolone

(3β)-3,17,21-Trihydroxypregn-5-en-20-one Use and Manufacturing

Uses

17,21-Dihydroxypregnenolone is the main precursor of cortisol. 17,21-Dihydroxypregnenolone can be formed by pregnenolone through human adrenal microsomal preparations.

Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

Computed Properties

Molecular Weight:348.5
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:348.23005950
Monoisotopic Mass:348.23005950
Topological Polar Surface Area:77.8
Heavy Atom Count:25
Complexity:613
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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