Structure Database (LMSD)
Common Name
Norgestrel
Systematic Name
13-ethyl-17α-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one
Synonyms
- WY-3707
LM ID
LMST02030119
Formula
Exact Mass
Calculate m/z
312.20893
Sum Composition
Status
Active
3D model of Norgestrel
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)
WWYNJERNGUHSAO-XUDSTZEESA-N
InChi (Click to copy)
InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
SMILES (Click to copy)
[C@]12(CC)CC[C@]3([H])[C@@]4([H])CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(O)C#C
References
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
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.17
Molar Refractivity
91.00
Admin
Created at
-
Updated at
20th Mar 2024