Structure Database (LMSD)
Common Name
6,24S-dihydroxycholesterol
Systematic Name
cholest-5-en-3β,6,24S-triol
Synonyms
LM ID
LMST01010132
Formula
Exact Mass
Calculate m/z
418.344695
Sum Composition
Status
Curated
3D model of 6,24S-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)
WHTLPCXFTUAFRL-NFRXNIEZSA-N
InChi (Click to copy)
InChI=1S/C27H46O3/c1-16(2)24(29)9-6-17(3)20-7-8-21-19-15-25(30)23-14-18(28)10-12-27(23,5)22(19)11-13-26(20,21)4/h16-22,24,28-30H,6-15H2,1-5H3/t17-,18+,19+,20-,21+,22+,24+,26-,27-/m1/s1
SMILES (Click to copy)
[C@@]12([H])CC(O)=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CC[C@H](O)C(C)C)CC[C@@]21[H]
Other Databases
PubChem CID
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
6.82
Molar Refractivity
123.04
Admin
Created at
-
Updated at
22nd Feb 2021