Structure Database (LMSD)
Common Name
5alpha-Dihydrocorticosterone
Systematic Name
11β,21-Dihydroxy-5α-pregnane-3,20-dione
Synonyms
- 5alpha-Pregnane-11beta,21-diol-3,20-dione
LM ID
LMST02030281
Formula
Exact Mass
Calculate m/z
348.23006
Sum Composition
Status
Active
3D model of 5alpha-Dihydrocorticosterone
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)
CTTOFMJLOGMZRN-DYWNTJRHSA-N
InChi (Click to copy)
InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-17,19,22,24H,3-11H2,1-2H3/t12-,14-,15-,16+,17-,19+,20-,21-/m0/s1
SMILES (Click to copy)
[C@]12(CC[C@@]3([H])CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]1(C)[C@@H](C(=O)CO)CC[C@@]21[H])[H]
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Human steroid biosynthesis, metabolism and excretion are differentially reflected by serum and urine steroid metabolomes: A comprehensive review.,
J Steroid Biochem Mol Biol, 2019
J Steroid Biochem Mol Biol, 2019
Pubmed ID:
31362062
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
4
Aromatic Rings
Rotatable Bonds
2
Van der Waals Molecular Volume
352.30
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
3.32
Molar Refractivity
94.71
Reactions
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Admin
Created at
19th Aug 2022
Updated at
19th Aug 2022