Structure Database (LMSD)
Systematic Name
24-Nor-5β-cholane-3α,7α,23-triol
Synonyms
LM ID
LMST04060009
Formula
Exact Mass
Calculate m/z
364.297745
Sum Composition
Status
Active
3D model of
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)
AQLBTYPFUGRFQI-VEPRGJRUSA-N
InChi (Click to copy)
InChI=1S/C23H40O3/c1-14(8-11-24)17-4-5-18-21-19(7-10-23(17,18)3)22(2)9-6-16(25)12-15(22)13-20(21)26/h14-21,24-26H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCO)CC[C@@]4([H])[C@]3([H])[C@H](O)C[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
383.39
Topological Polar Surface Area
60.69
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
4.85
Molar Refractivity
104.99
Admin
Created at
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Updated at
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