Structure Database (LMSD)
Common Name
6alpha-hydroxycholestanol(d7)
Systematic Name
cholestan-3β,6α-diol(d7)
Synonyms
LM ID
LMST01010007
Formula
Exact Mass
Calculate m/z
411.409369
Status
Active (Isotopically labelled standard)
3D model of 6alpha-hydroxycholestanol(d7)
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)
PMWTYEQRXYIMND-DNWVLYPESA-N
InChi (Click to copy)
InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27-/m1/s1/i1D3,2D3,17D
SMILES (Click to copy)
[C@]12(C[C@H](O)[C@@]3([H])C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])CC[C@@]21[H])[H]
References
Admin
Created at
-
Updated at
29th Jan 2021