Structure Database (LMSD)
Common Name
11-deoxycorticosterone
Systematic Name
21-hydroxypregn-4-ene-3,20-dione
Synonyms
- 21-hydroxyProgesterone
LM ID
LMST02030087
Formula
Exact Mass
Calculate m/z
330.219495
Sum Composition
Status
Active
3D model of 11-deoxycorticosterone
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)
ZESRJSPZRDMNHY-YFWFAHHUSA-N
InChi (Click to copy)
InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
SMILES (Click to copy)
[C@]12(CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(=O)CO)CC[C@@]21[H])[H]
References
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
4
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
340.87
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.98
Molar Refractivity
92.78
Reactions
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Admin
Created at
-
Updated at
19th Aug 2022