Structure Database (LMSD)
Common Name
5,6alpha-epoxy-cholesterol(d7)
Systematic Name
5,6α-epoxy-5α-cholestan-3β-ol(d7)
Synonyms
LM ID
LMST01010004
Formula
Exact Mass
Calculate m/z
409.393719
Status
Active (Isotopically labelled standard)
3D model of 5,6alpha-epoxy-cholesterol(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)
PRYIJAGAEJZDBO-BXAOGQKHSA-N
InChi (Click to copy)
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,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]3O[C@]43C[C@@H](O)CC[C@]4(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