Structure Database (LMSD)
Common Name
20-hydroxypregn-4-en-3-one
Systematic Name
20-hydroxypregn-4-en-3-one
Synonyms
- 20-dihydroprogesterone
- 20-hydroxy-4-pregnen-3-one
LM ID
LMST02030152
Formula
Exact Mass
Calculate m/z
316.24023
Sum Composition
Status
Active
3D model of 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
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
RWBRUCCWZPSBFC-HWSYHKBZSA-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(C)O)[H])[C@]13[H])CCC(=O)C=2
Other Databases
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
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Created at
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Updated at
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