Structure Database (LMSD)

Common Name
Campesteryl glucoside
Systematic Name
3-O-(β-D-glucopyranosyl)-campest-5-en-3β-ol
Synonyms
  • Campesteryl beta-D-glucoside
  • (3beta)-Campest-5-en-3-yl D-glucopyranoside
  • Campesterol glucoside
  • Campest-5-en-3beta-yl D-glucopyranoside
LM ID
LMST01031126
Formula
C34H58O6
Exact Mass
Calculate m/z
562.42334
Sum Composition
ST 28:1;O;Hex
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Ergosterols and C24-methyl derivatives [ST0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Arabidopsis thaliana (#3702)
Magnoliopsida (#3398)
Quantification of sterol lipids in plants by quadrupole time-of-flight mass spectrometry.,
J Lipid Res, 2011
Pubmed ID: 21382968

String Representations

InChiKey (Click to copy)
FWNZEKQVBDXWKA-NYENXMMQSA-N
InChi (Click to copy)
InChI=1S/C34H58O6/c1-19(2)20(3)7-8-21(4)25-11-12-26-24-10-9-22-17-23(13-15-33(22,5)27(24)14-16-34(25,26)6)39-32-31(38)30(37)29(36)28(18-35)40-32/h9,19-21,23-32,35-38H,7-8,10-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28-,29-,30+,31-,32-,33+,34-/m1/s1
SMILES (Click to copy)
C1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC2=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@]([H])(CC[C@@H](C)C(C)C)C)[C@@]4(C)CC[C@]3([H])[C@@]2(C)C1

Other Databases

CHEBI ID
145072
PubChem CID
12895787

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 5
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 585.06
Topological Polar Surface Area 101.45
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 7.46
Molar Refractivity 159.80

Admin

Created at
-
Updated at
5th Feb 2021