Structure Database (LMSD)
Common Name
12alpha-hydroxyprogesterone
Systematic Name
12α-hydroxypregn-4-ene-3,20-dione
Synonyms
- (12alpha)-12-hydroxypregn-4-ene-3,20-dione
- 12alpha-Hydroxy-4-pregnene-3,20-dione
- 12alpha-Hydroxyprogesterone
LM ID
LMST02030148
Formula
Exact Mass
Calculate m/z
330.219495
Sum Composition
Status
Curated
3D model of 12alpha-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)
GBYPMNXBNFQGAV-GCOKGBOCSA-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)18(15)11-19(24)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[C@H](O)[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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