Structure Database (LMSD)
Common Name
2alpha-hydroxyprogesterone
Systematic Name
2α-hydroxypregn-4-ene-3,20-dione
Synonyms
- 2alpha-Hydroxy-4-pregnene-3,20-dione
LM ID
LMST02030338
Formula
Exact Mass
Calculate m/z
330.219496
Sum Composition
Status
Curated
3D model of 2alpha-hydroxyprogesterone
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
References
String Representations
InChiKey (Click to copy)
BOZZHCVRWNSXMR-WEEZVYGMSA-N
InChi (Click to copy)
InChI=1S/C21H30O3/c1-12(22)15-6-7-16-14-5-4-13-10-18(23)19(24)11-21(13,3)17(14)8-9-20(15,16)2/h10,14-17,19,24H,4-9,11H2,1-3H3/t14-,15+,16-,17-,19+,20+,21-/m0/s1
SMILES (Click to copy)
C1CC2[C@@](C)([C@@]3([H])CC[C@@]4([C@H](CC[C@@]4([H])[C@]13[H])C(=O)C)C)C[C@@H](O)C(=O)C=2
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
4
Aromatic Rings
Rotatable Bonds
1
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
Admin
Created at
7th Feb 2025
Updated at
7th Feb 2025