Structure Database (LMSD)
Common Name
Dormatinone
Systematic Name
(25S)-3β,26-dihydroxycholest-5-en-22-one
Synonyms
LM ID
LMST01010100
Formula
Exact Mass
Calculate m/z
416.329045
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Dormatinone
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)
ANPHLQXCHVRCDX-LURFOZDGSA-N
InChi (Click to copy)
InChI=1S/C27H44O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,28-29H,5,7-16H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,26-,27+/m0/s1
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])C(=O)CC[C@@H](CO)C)CC[C@@]21[H])[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
4
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
447.31
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
6.11
Molar Refractivity
121.86
Admin
Created at
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Updated at
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