Structure Database (LMSD)
Common Name
4,5beta-Dihydrocortisone
Systematic Name
17,21-dihydroxy-5β-pregnane-3,11,20-trione
Synonyms
- 17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione
- 4,5beta-Dihydrocortisone
- 4,5beta-dihydrocortisone
- 5-dihydrocortisone
- 5beta-Pregnane-17alpha,21-diol-3,11,20-trione
LM ID
LMST02030095
Formula
Exact Mass
Calculate m/z
362.209325
Sum Composition
Status
Active
3D model of 4,5beta-Dihydrocortisone
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)
YCLWEYIBFOLMEM-FNLRALKVSA-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+/m1/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]
References
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
Reactions
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Created at
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Updated at
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