Structure Database (LMSD)
Common Name
Delta(1)-progesterone
Systematic Name
pregna-1,4-diene-3,20-dione
Synonyms
- 1,2-dehydroprogesterone
- 1,2-didehydroprogesterone
- 1-Dehydroprogesterone
- Pregna-1,4-diene-3,20-dione
- delta1-Progesterone
LM ID
LMST02030147
Formula
Exact Mass
Calculate m/z
312.20893
Sum Composition
Status
Active
3D model of Delta(1)-progesterone
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)
QIEPWCSVQYUPIY-LEKSSAKUSA-N
InChi (Click to copy)
InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
SMILES (Click to copy)
C1CC2[C@](C)(C=CC(=O)C=2)[C@@]2([H])CC[C@@]3(C)[C@@]([H])(CC[C@@H]3C(C)=O)[C@]12[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
4
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
329.44
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.50
Molar Refractivity
90.79
Admin
Created at
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Updated at
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