Structure Database (LMSD)
Common Name
Normurideoxycholic acid
Systematic Name
24-nor-3α,6β-dihydroxy-5β-cholan-23-oic acid
Synonyms
LM ID
LMST04060028
Formula
Exact Mass
Calculate m/z
378.27701
Sum Composition
Status
Curated
3D model of Normurideoxycholic 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)
ZBAVIUQLFUYWMT-NXRNMXMSSA-N
InChi (Click to copy)
InChI=1S/C23H38O4/c1-13(10-21(26)27)16-4-5-17-15-12-20(25)19-11-14(24)6-8-23(19,3)18(15)7-9-22(16,17)2/h13-20,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14-,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])C[C@@H](O)[C@]2([H])C[C@H](O)C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
4
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
389.54
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
4.66
Molar Refractivity
105.05
Admin
Created at
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Updated at
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