Structure Database (LMSD)

D HO H H OH D D D D D D H H H
Common Name
22S-hydroxycholesterol(d7)
Systematic Name
cholest-5-en-3β,22S-diol(d7)
Synonyms
LM ID
LMST01010145
Formula
C27H39D7O2
Exact Mass
Calculate m/z
409.393719
Status
Active (Isotopically labelled standard)
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Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

String Representations

InChiKey (Click to copy)
RZPAXNJLEKLXNO-YLVVCUGSSA-N
InChi (Click to copy)
InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1/i1D3,2D3,17D
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])[C@@H](O)CCC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])CC[C@@]21[H])[H]

References

Comments
Synthetic deuterated standard

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthetic deuterated standard

Other Databases

CHEBI ID
1301
PubChem CID
42608392

Admin

Created at
-
Updated at
29th Jan 2021