Structure Database (LMSD)
Common Name
11alpha-hydroxyprogesterone
Systematic Name
11α-hydroxypregn-4-ene-3,20-dione
Synonyms
- (11alpha)-11-hydroxypregn-4-ene-3,20-dione
- 11alpha-Hydroxyprogesterone
- 4-pregnen-11alpha-ol-3,20-dione
LM ID
LMST02030184
Formula
Exact Mass
Calculate m/z
330.219495
Sum Composition
Status
Active
3D model of 11alpha-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
String Representations
InChiKey (Click to copy)
BFZHCUBIASXHPK-QJSKAATBSA-N
InChi (Click to copy)
InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18+,19+,20-,21+/m0/s1
SMILES (Click to copy)
C1CC2[C@@](C)([C@@]3([H])[C@H](O)C[C@@]4([C@H](CC[C@@]4([H])[C@]13[H])C(=O)C)C)CCC(=O)C=2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
4
Aromatic Rings
0
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
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Updated at
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