Structure Database (LMSD)
Systematic Name
24-Nor-5β-chol-22-ene-3α,7β-diol
Synonyms
LM ID
LMST04060015
Formula
Exact Mass
Calculate m/z
346.28718
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)
ZIEYYQLAVAIGCP-KHLWDBHXSA-N
InChi (Click to copy)
InChI=1S/C23H38O2/c1-5-14(2)17-6-7-18-21-19(9-11-23(17,18)4)22(3)10-8-16(24)12-15(22)13-20(21)25/h5,14-21,24-25H,1,6-13H2,2-4H3/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)C=C)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
25
Rings
4
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
371.96
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
5.37
Molar Refractivity
103.00
Admin
Created at
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Updated at
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