Structure Database (LMSD)
Common Name
7alpha,24-dihydroxycholesterol
Systematic Name
cholest-5-en-3β,7α,24-triol
Synonyms
LM ID
LMST04030174
Formula
Exact Mass
Calculate m/z
418.344695
Sum Composition
Status
Active
3D model of 7alpha,24-dihydroxycholesterol
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)
ZNCHPOYZMVVJCK-ZANKPZNPSA-N
InChi (Click to copy)
InChI=1S/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19+,20-,21+,22+,23?,24-,25+,26+,27-/m1/s1
SMILES (Click to copy)
[C@@]12([C@]([C@H](O)C=C3[C@@]1(CC[C@@H](C3)O)C)([H])[C@]1([H])CC[C@]([H])([C@@H](CCC(O)C(C)C)C)[C@@]1(C)CC2)[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
4
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
449.95
Topological Polar Surface Area
60.69
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
6.19
Molar Refractivity
123.37
Admin
Created at
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Updated at
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