Structure Database (LMSD)

Common Name
4beta-hydroxy-cholesterol(d7)
Systematic Name
cholest-5-en-3β,4β-diol(d7)
Synonyms
LM ID
LMST01010003
Formula
Exact Mass
Calculate m/z
409.393719
Status
Active (Isotopically labelled standard)


Main

Classification

String Representations

InChiKey (Click to copy)
CZDKQKOAHAICSF-BZNWTYAPSA-N
InChi (Click to copy)
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1/i1D3,2D3,17D
SMILES (Click to copy)
[C@]12(CC=C3[C@@H](O)[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
Cayman ID

Admin

Created at
-
Updated at
29th Jan 2021