Structure Database (LMSD)

H H OH O H H H D D D D D D D
Systematic Name
7α-hydroxy-4-cholesten-3-one-d7
Synonyms
LM ID
LMST01010362
Formula
C27H37D7O2
Exact Mass
Calculate m/z
407.378069
Status
Active (Isotopically labelled standard)
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
IOIZWEJGGCZDOL-CTNVFXSSSA-N
InChi (Click to copy)
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1/i1D3,2D3,17D
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])CC[C@@]4([H])[C@]3([H])[C@H](O)CC2=CC(=O)C1

References

Comments
Synthetic deuterated standard

Taxonomy Information

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

Other Databases

PubChem CID
46781728
Cayman ID
26100

Admin

Created at
-
Updated at
29th Jan 2021