Structure Database (LMSD)
Common Name
Norlithocholic acid
Systematic Name
24-nor-3α-hydroxy-5β-cholan-23-oic acid
Synonyms
LM ID
LMST04060023
Formula
Exact Mass
Calculate m/z
362.282095
Sum Composition
Status
Active
3D model of Norlithocholic acid
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)
BIGINLZPDKMEPQ-RLEVVIJMSA-N
InChi (Click to copy)
InChI=1S/C23H38O3/c1-14(12-21(25)26)18-6-7-19-17-5-4-15-13-16(24)8-10-22(15,2)20(17)9-11-23(18,19)3/h14-20,24H,4-13H2,1-3H3,(H,25,26)/t14-,15-,16-,17+,18-,19+,20+,22+,23-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC(=O)O)CC[C@@]4([H])[C@]3([H])CC[C@]2([H])C[C@H](O)C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
4
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
380.75
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.40
Molar Refractivity
103.15
Admin
Created at
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Updated at
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