Structure Database (LMSD)
Common Name
27-hydroxy-cholesterol(d6)
Systematic Name
cholest-5-en-3β,27-diol(d6)
Synonyms
LM ID
LMST01010147
Formula
Exact Mass
Calculate m/z
408.387442
Status
Active (Isotopically labelled standard)
3D model of 27-hydroxy-cholesterol(d6)
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
References
Comments
Synthetic deuterated standard
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Synthetic deuterated standard
String Representations
InChiKey (Click to copy)
FYHRJWMENCALJY-CDBHVEDQSA-N
InChi (Click to copy)
InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18?,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i1D3,17D2,18D
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([2H])(C(O)([2H])[2H])C([2H])([2H])[2H])CC[C@@]21[H])[H]
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Created at
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Updated at
29th Jan 2021