Structure Database (LMSD)
Common Name
25-hydroxy-cholesterol(d6)
Systematic Name
cholest-5-en-3β,25-diol(d6)
Synonyms
LM ID
LMST01010146
Formula
Exact Mass
Calculate m/z
408.387442
Status
Active (Isotopically labelled standard)
3D model of 25-hydroxy-cholesterol(d6)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
INBGSXNNRGWLJU-KHKDDIDZSA-N
InChi (Click to copy)
InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1/i2D3,3D3
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])CC[C@@]21[H])[H]
References
Admin
Created at
-
Updated at
29th Jan 2021