Structure Database (LMSD)
Common Name
Cystosterol
Systematic Name
(20,23-cyclo)-cholest-5-en-3β-ol
Synonyms
3D model of Cystosterol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DGMBRFFGNNFDAC-DZESUMFASA-N
InChi (Click to copy)
InChI=1S/C27H44O/c1-17(2)14-19-16-27(19,5)24-9-8-22-21-7-6-18-15-20(28)10-12-25(18,3)23(21)11-13-26(22,24)4/h6,17,19-24,28H,7-16H2,1-5H3/t19?,20-,21-,22-,23-,24-,25-,26-,27?/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5(C(CC(C)C)C5)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Cystoseira
(#74094)
Phaeophyceae
(#2870)
[Study fo sterols from brown seaweeds of the genus Cytoseira. Identification by gas-liquid chromatography coupled with mass spectrometry (author's transl)].,
Biochim Biophys Acta, 1977
Biochim Biophys Acta, 1977
Pubmed ID:
857897
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
5
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
420.01
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
7.28
Molar Refractivity
117.38
Admin
Created at
-
Updated at
9th Mar 2021