Structure Database (LMSD)
Common Name
(20S)-20-hydroxypregn-4-en-3-one
Systematic Name
(20S)-20-hydroxypregn-4-en-3-one
Synonyms
- (S)-20-Hydroxypregn-4-en-3-one
- 20alpha-Hydroxy-4-pregnen-3-one
- 20alpha-Hydroxypregn-4-en-3-one
- 20alpha-Hydroxyprogesterone
- 20alpha-dihydroprogesterone
- dihydroprogesterone
LM ID
LMST02030169
Formula
Exact Mass
Calculate m/z
316.24023
Sum Composition
Status
Active
3D model of (20S)-20-hydroxypregn-4-en-3-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
RWBRUCCWZPSBFC-RXRZZTMXSA-N
InChi (Click to copy)
InChI=1S/C21H32O2/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/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1
SMILES (Click to copy)
C1CC2[C@@](C)([C@@]3([H])CC[C@@]4(C)[C@@]([H])(CC[C@@]4([C@H](C)O)[H])[C@]13[H])CCC(=O)C=2
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
4
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
334.72
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.80
Molar Refractivity
92.39
Reactions
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Admin
Created at
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Updated at
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