Structure Database (LMSD)
Common Name
4,5alpha-Dihydrocortisone
Systematic Name
17,21-dihydroxy-5α-pregnane-3,11,20-trione
Synonyms
- 4,5alpha-Dihydrocortisone
LM ID
LMST02030096
Formula
Exact Mass
Calculate m/z
362.209325
Sum Composition
Status
Curated
3D model of 4,5alpha-Dihydrocortisone
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)
YCLWEYIBFOLMEM-FZPGBCFJSA-N
InChi (Click to copy)
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14-,15-,18+,19-,20-,21-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@]1([H])[C@@]3(C)CCC(=O)C[C@]3([H])CC[C@@]21[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
4
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
358.45
Topological Polar Surface Area
91.67
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
2.64
Molar Refractivity
95.17
Admin
Created at
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Updated at
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