Structure Database (LMSD)

OH HO H H D H D D D D D D H H H
Common Name
6alpha-hydroxycholestanol(d7)
Systematic Name
cholestan-3β,6α-diol(d7)
Synonyms
LM ID
LMST01010007
Formula
C27H41D7O2
Exact Mass
Calculate m/z
411.409369
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)
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

Comments
Synthetic deuterated standard

Taxonomy Information

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

Other Databases

PubChem CID
3247056

Admin

Created at
-
Updated at
29th Jan 2021